Flavonoids

Flavonoids
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Quercetin dihydrate, 97%
CAS: 6151-25-3 Molecular Formula: C15H14O9 Molecular Weight (g/mol): 338.27 MDL Number: MFCD00149487 InChI Key: GMGIWEZSKCNYSW-UHFFFAOYSA-N Synonym: quercetin dihydrate,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one dihydrate,quercetine dihydrate,quercetin, dihydrate,ccris 3304,3,3',4',5,7-pentahydroxyflavone dihydrate,quercetin dihydrate sophoretin,flavone, 3,3',4',5,7-pentahydroxy-, dihydrate,dsstox_cid_1219,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-1-benzopyran-4-one dihydrate PubChem CID: 5284452 IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;dihydrate SMILES: O.O.OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC=C(O)C(O)=C2)=C1
PubChem CID | 5284452 |
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CAS | 6151-25-3 |
Molecular Weight (g/mol) | 338.27 |
MDL Number | MFCD00149487 |
SMILES | O.O.OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC=C(O)C(O)=C2)=C1 |
Synonym | quercetin dihydrate,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one dihydrate,quercetine dihydrate,quercetin, dihydrate,ccris 3304,3,3',4',5,7-pentahydroxyflavone dihydrate,quercetin dihydrate sophoretin,flavone, 3,3',4',5,7-pentahydroxy-, dihydrate,dsstox_cid_1219,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-1-benzopyran-4-one dihydrate |
IUPAC Name | 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;dihydrate |
InChI Key | GMGIWEZSKCNYSW-UHFFFAOYSA-N |
Molecular Formula | C15H14O9 |
MDL Number | MFCD00131611 |
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(+)-Rutin trihydrate, 95%
CAS: 250249-75-3 Molecular Formula: C27H36O19 Molecular Weight (g/mol): 664.566 MDL Number: MFCD00149490 InChI Key: NLLBWFFSGHKUSY-JPRRWYCFSA-N Synonym: rutoside trihydrate,+-rutin trihydrate,rutin trihydrate,rutin hydrate,unii-rf4n03853g,2-3,4-dihydroxyphenyl-5,7-dihydroxy-3-2s,3r,4s,5s,6r-3,4,5-trihydroxy-6-2r,3r,4r,5r,6s-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl oxy methyl tetrahydro-2h-pyran-2-yl oxy-4h-chromen-4-one trihydrate,rutoside trihydrate ep,rutin hydrate jan,rutin trihydrate hplc,rutin trihydrate, analytical standard PubChem CID: 16218542 IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;trihydrate SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.O.O.O
PubChem CID | 16218542 |
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CAS | 250249-75-3 |
Molecular Weight (g/mol) | 664.566 |
MDL Number | MFCD00149490 |
SMILES | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.O.O.O |
Synonym | rutoside trihydrate,+-rutin trihydrate,rutin trihydrate,rutin hydrate,unii-rf4n03853g,2-3,4-dihydroxyphenyl-5,7-dihydroxy-3-2s,3r,4s,5s,6r-3,4,5-trihydroxy-6-2r,3r,4r,5r,6s-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl oxy methyl tetrahydro-2h-pyran-2-yl oxy-4h-chromen-4-one trihydrate,rutoside trihydrate ep,rutin hydrate jan,rutin trihydrate hplc,rutin trihydrate, analytical standard |
IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;trihydrate |
InChI Key | NLLBWFFSGHKUSY-JPRRWYCFSA-N |
Molecular Formula | C27H36O19 |
4',5,7-Trihydroxyflavanone, 97%
CAS: 67604-48-2 Molecular Formula: C15H12O5 Molecular Weight (g/mol): 272.256 MDL Number: MFCD00006844 InChI Key: FTVWIRXFELQLPI-UHFFFAOYSA-N Synonym: naringenin,5,7-dihydroxy-2-4-hydroxyphenyl chroman-4-one,naringenine,4',5,7-trihydroxyflavanone,+/--naringenin,naringetol,salipurpol,--naringenin,narigenin,salipurol PubChem CID: 932 ChEBI: CHEBI:50202 IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one SMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
PubChem CID | 932 |
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CAS | 67604-48-2 |
Molecular Weight (g/mol) | 272.256 |
ChEBI | CHEBI:50202 |
MDL Number | MFCD00006844 |
SMILES | C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O |
Synonym | naringenin,5,7-dihydroxy-2-4-hydroxyphenyl chroman-4-one,naringenine,4',5,7-trihydroxyflavanone,+/--naringenin,naringetol,salipurpol,--naringenin,narigenin,salipurol |
IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one |
InChI Key | FTVWIRXFELQLPI-UHFFFAOYSA-N |
Molecular Formula | C15H12O5 |
Naringin
CAS: 10236-47-2 Molecular Formula: C27H32O14 Molecular Weight (g/mol): 580.54 MDL Number: MFCD00148888,MFCD00149445,MFCD01461988 InChI Key: DFPMSGMNTNDNHN-ZPHOTFPESA-N Synonym: 4',5,7-Trihydroxyflavanone 7-rhamnoglucoside PubChem CID: 74787988 IUPAC Name: 7-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=CC(O)=C3C(=O)C[C@H](OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O
PubChem CID | 74787988 |
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CAS | 10236-47-2 |
Molecular Weight (g/mol) | 580.54 |
MDL Number | MFCD00148888,MFCD00149445,MFCD01461988 |
SMILES | C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=CC(O)=C3C(=O)C[C@H](OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O |
Synonym | 4',5,7-Trihydroxyflavanone 7-rhamnoglucoside |
IUPAC Name | 7-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one |
InChI Key | DFPMSGMNTNDNHN-ZPHOTFPESA-N |
Molecular Formula | C27H32O14 |
2'-Amino-3'-methoxyflavone, 99%
CAS: 167869-21-8 Molecular Formula: C16H13NO3 Molecular Weight (g/mol): 267.28 MDL Number: MFCD00671789 InChI Key: QFWCYNPOPKQOKV-UHFFFAOYSA-N Synonym: 2-2-amino-3-methoxyphenyl-4h-chromen-4-one,2-2-amino-3-methoxyphenyl-4h-1-benzopyran-4-one,2-2-amino-3-methoxyphenyl chromen-4-one,2'-amino-3'-methoxyflavone,unii-sje1io5e3i,sje1io5e3i,chembl35482,2-2-amino-3-methoxyphenyl-chromen-4-one,4h-1-benzopyran-4-one, 2-2-amino-3-methoxyphenyl,2′-amino-3′-methoxyflavone PubChem CID: 4713 ChEBI: CHEBI:77954 IUPAC Name: 2-(2-amino-3-methoxyphenyl)chromen-4-one SMILES: COC1=CC=CC(=C1N)C1=CC(=O)C2=CC=CC=C2O1
PubChem CID | 4713 |
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CAS | 167869-21-8 |
Molecular Weight (g/mol) | 267.28 |
ChEBI | CHEBI:77954 |
MDL Number | MFCD00671789 |
SMILES | COC1=CC=CC(=C1N)C1=CC(=O)C2=CC=CC=C2O1 |
Synonym | 2-2-amino-3-methoxyphenyl-4h-chromen-4-one,2-2-amino-3-methoxyphenyl-4h-1-benzopyran-4-one,2-2-amino-3-methoxyphenyl chromen-4-one,2'-amino-3'-methoxyflavone,unii-sje1io5e3i,sje1io5e3i,chembl35482,2-2-amino-3-methoxyphenyl-chromen-4-one,4h-1-benzopyran-4-one, 2-2-amino-3-methoxyphenyl,2′-amino-3′-methoxyflavone |
IUPAC Name | 2-(2-amino-3-methoxyphenyl)chromen-4-one |
InChI Key | QFWCYNPOPKQOKV-UHFFFAOYSA-N |
Molecular Formula | C16H13NO3 |
2',3-Dihydroxyflavone, 97%, Thermo Scientific Chemicals
CAS: 6068-76-4 Molecular Formula: C15H10O4 Molecular Weight (g/mol): 254.24 MDL Number: MFCD00017674 InChI Key: VECGDSZOFMYGAF-UHFFFAOYSA-N Synonym: 3,2'-dihydroxyflavone,2',3-dihydroxyflavone,3-hydroxy-2-2-hydroxyphenyl-4h-chromen-4-one,2'-hydroxyflavonol,3-hydroxy-2-2-hydroxyphenyl chromen-4-one,4h-1-benzopyran-4-one, 3-hydroxy-2-2-hydroxyphenyl,2'3-dioh-flavone,3,2'-dihydroxy flavone,acmc-1b19t,7,8-dihydroxyflavone-derivative-1 PubChem CID: 455313 IUPAC Name: 3-hydroxy-2-(2-hydroxyphenyl)chromen-4-one SMILES: OC1=CC=CC=C1C1=C(O)C(=O)C2=CC=CC=C2O1
PubChem CID | 455313 |
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CAS | 6068-76-4 |
Molecular Weight (g/mol) | 254.24 |
MDL Number | MFCD00017674 |
SMILES | OC1=CC=CC=C1C1=C(O)C(=O)C2=CC=CC=C2O1 |
Synonym | 3,2'-dihydroxyflavone,2',3-dihydroxyflavone,3-hydroxy-2-2-hydroxyphenyl-4h-chromen-4-one,2'-hydroxyflavonol,3-hydroxy-2-2-hydroxyphenyl chromen-4-one,4h-1-benzopyran-4-one, 3-hydroxy-2-2-hydroxyphenyl,2'3-dioh-flavone,3,2'-dihydroxy flavone,acmc-1b19t,7,8-dihydroxyflavone-derivative-1 |
IUPAC Name | 3-hydroxy-2-(2-hydroxyphenyl)chromen-4-one |
InChI Key | VECGDSZOFMYGAF-UHFFFAOYSA-N |
Molecular Formula | C15H10O4 |
7,8-Dihydroxyflavone hydrate, 97%
CAS: 38183-03-8 Molecular Formula: C15H10O4 Molecular Weight (g/mol): 254.24 MDL Number: MFCD00006836 InChI Key: COCYGNDCWFKTMF-UHFFFAOYSA-N Synonym: 7,8-dihydroxyflavone,7,8-dihydroxy-2-phenyl-4h-chromen-4-one,7,8-dihydroxy-flavone,4h-1-benzopyran-4-one, 7,8-dihydroxy-2-phenyl,7,8-dhf,7,8-dihydroxy-2-phenyl-4-benzopyrone,7,8-dihydroxy-2-phenyl-chromen-4-one,7,8-dihydroxyflavone hydrate,chembl75267,7,8-dihydroxy-2-phenyl-4h-1-benzopyran-4-one PubChem CID: 1880 IUPAC Name: 7,8-dihydroxy-2-phenylchromen-4-one SMILES: OC1=CC=C2C(=O)C=C(OC2=C1O)C1=CC=CC=C1
PubChem CID | 1880 |
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CAS | 38183-03-8 |
Molecular Weight (g/mol) | 254.24 |
MDL Number | MFCD00006836 |
SMILES | OC1=CC=C2C(=O)C=C(OC2=C1O)C1=CC=CC=C1 |
Synonym | 7,8-dihydroxyflavone,7,8-dihydroxy-2-phenyl-4h-chromen-4-one,7,8-dihydroxy-flavone,4h-1-benzopyran-4-one, 7,8-dihydroxy-2-phenyl,7,8-dhf,7,8-dihydroxy-2-phenyl-4-benzopyrone,7,8-dihydroxy-2-phenyl-chromen-4-one,7,8-dihydroxyflavone hydrate,chembl75267,7,8-dihydroxy-2-phenyl-4h-1-benzopyran-4-one |
IUPAC Name | 7,8-dihydroxy-2-phenylchromen-4-one |
InChI Key | COCYGNDCWFKTMF-UHFFFAOYSA-N |
Molecular Formula | C15H10O4 |
5,6-Dihydroxyflavone, 97%
CAS: 6665-66-3 Molecular Formula: C15H10O4 Molecular Weight (g/mol): 254.241 MDL Number: MFCD00601534 InChI Key: AGZAGADSYIYYCT-UHFFFAOYSA-N Synonym: 5,6-dihydroxyflavone,5,6-dihydroxy-2-phenyl-4h-chromen-4-one,5,6-dihydroxy-2-phenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 5,6-dihydroxy-2-phenyl PubChem CID: 14349487 IUPAC Name: 5,6-dihydroxy-2-phenylchromen-4-one SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3O)O
PubChem CID | 14349487 |
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CAS | 6665-66-3 |
Molecular Weight (g/mol) | 254.241 |
MDL Number | MFCD00601534 |
SMILES | C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3O)O |
Synonym | 5,6-dihydroxyflavone,5,6-dihydroxy-2-phenyl-4h-chromen-4-one,5,6-dihydroxy-2-phenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 5,6-dihydroxy-2-phenyl |
IUPAC Name | 5,6-dihydroxy-2-phenylchromen-4-one |
InChI Key | AGZAGADSYIYYCT-UHFFFAOYSA-N |
Molecular Formula | C15H10O4 |
(-)-Epicatechin
CAS: 490-46-0 Molecular Formula: C15H14O6 Molecular Weight (g/mol): 290.271 MDL Number: MFCD00075648 InChI Key: PFTAWBLQPZVEMU-UKRRQHHQSA-N Synonym: --epicatechin,epicatechin,l-epicatechin,--epicatechol,l-acacatechin,epicatechol,l-epicatechol,2r,3r-2-3,4-dihydroxyphenyl chroman-3,5,7-triol,-epicatechin,2r,3r---epicatechin PubChem CID: 72276 ChEBI: CHEBI:90 IUPAC Name: (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
PubChem CID | 72276 |
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CAS | 490-46-0 |
Molecular Weight (g/mol) | 290.271 |
ChEBI | CHEBI:90 |
MDL Number | MFCD00075648 |
SMILES | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O |
Synonym | --epicatechin,epicatechin,l-epicatechin,--epicatechol,l-acacatechin,epicatechol,l-epicatechol,2r,3r-2-3,4-dihydroxyphenyl chroman-3,5,7-triol,-epicatechin,2r,3r---epicatechin |
IUPAC Name | (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
InChI Key | PFTAWBLQPZVEMU-UKRRQHHQSA-N |
Molecular Formula | C15H14O6 |
(-)-Epigallocatechin
CAS: 970-74-1 Molecular Formula: C15H14O7 Molecular Weight (g/mol): 306.27 MDL Number: MFCD00075939 InChI Key: XMOCLSLCDHWDHP-IUODEOHRSA-N Synonym: --epigallocatechin,epigallocatechin,epigallocatechol,l-epigallocatechin,epi-gallocatechin,antiscurvy factor c2,--epigallocatechol,l-epigallocatechol,--3,3',4',5,5',7-flavanhexol,3,3',4',5,5',7-flavanhexol PubChem CID: 72277 ChEBI: CHEBI:42255 IUPAC Name: (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O
PubChem CID | 72277 |
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CAS | 970-74-1 |
Molecular Weight (g/mol) | 306.27 |
ChEBI | CHEBI:42255 |
MDL Number | MFCD00075939 |
SMILES | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O |
Synonym | --epigallocatechin,epigallocatechin,epigallocatechol,l-epigallocatechin,epi-gallocatechin,antiscurvy factor c2,--epigallocatechol,l-epigallocatechol,--3,3',4',5,5',7-flavanhexol,3,3',4',5,5',7-flavanhexol |
IUPAC Name | (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
InChI Key | XMOCLSLCDHWDHP-IUODEOHRSA-N |
Molecular Formula | C15H14O7 |
Diosmin
CAS: 520-27-4 Molecular Formula: C28H32O15 Molecular Weight (g/mol): 608.549 MDL Number: MFCD00009772 InChI Key: GZSOSUNBTXMUFQ-YFAPSIMESA-N Synonym: diosmin,barosmin,diosmine,venosmine,diosmil,flebosten,daflon,diosimin,diosminum,tovene PubChem CID: 5281613 ChEBI: CHEBI:4631 IUPAC Name: 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
PubChem CID | 5281613 |
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CAS | 520-27-4 |
Molecular Weight (g/mol) | 608.549 |
ChEBI | CHEBI:4631 |
MDL Number | MFCD00009772 |
SMILES | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O |
Synonym | diosmin,barosmin,diosmine,venosmine,diosmil,flebosten,daflon,diosimin,diosminum,tovene |
IUPAC Name | 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
InChI Key | GZSOSUNBTXMUFQ-YFAPSIMESA-N |
Molecular Formula | C28H32O15 |
Kaempferol, 98+%, Thermo Scientific Chemicals
CAS: 520-18-3 Molecular Formula: C15H10O6 Molecular Weight (g/mol): 286.24 MDL Number: MFCD00016938 InChI Key: IYRMWMYZSQPJKC-UHFFFAOYSA-N Synonym: kaempferol,kaempherol,kempferol,populnetin,rhamnolutein,robigenin,trifolitin,pelargidenolon,rhamnolutin,swartziol PubChem CID: 5280863 ChEBI: CHEBI:28499 SMILES: OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1
PubChem CID | 5280863 |
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CAS | 520-18-3 |
Molecular Weight (g/mol) | 286.24 |
ChEBI | CHEBI:28499 |
MDL Number | MFCD00016938 |
SMILES | OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1 |
Synonym | kaempferol,kaempherol,kempferol,populnetin,rhamnolutein,robigenin,trifolitin,pelargidenolon,rhamnolutin,swartziol |
InChI Key | IYRMWMYZSQPJKC-UHFFFAOYSA-N |
Molecular Formula | C15H10O6 |
(-)-Gallocatechin
CAS: 3371-27-5 Molecular Formula: C15H14O7 Molecular Weight (g/mol): 306.27 MDL Number: MFCD01632616 InChI Key: XMOCLSLCDHWDHP-DOMZBBRYSA-N Synonym: --gallocatechin,2s,3r-2-3,4,5-trihydroxyphenyl chroman-3,5,7-triol,2s,3r-gallocatechin,ent-gallocatechin,2s,3r-flavan-3,3',4',5,5',7-hexol,2s,3r-flavan-3,5,7,3',4',5'-hexol,2s,3r-2-3,4,5-trihydroxyphenyl-3,4-dihydro-2h-chromene-3,5,7-triol,2s,3r---2-3,4,5-trihydroxyphenyl-3,4-dihydro-2h-chromene-3,5,7-triol,gallocatechingc,l-gallocatechin PubChem CID: 9882981 ChEBI: CHEBI:71225 IUPAC Name: (2S,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O
PubChem CID | 9882981 |
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CAS | 3371-27-5 |
Molecular Weight (g/mol) | 306.27 |
ChEBI | CHEBI:71225 |
MDL Number | MFCD01632616 |
SMILES | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O |
Synonym | --gallocatechin,2s,3r-2-3,4,5-trihydroxyphenyl chroman-3,5,7-triol,2s,3r-gallocatechin,ent-gallocatechin,2s,3r-flavan-3,3',4',5,5',7-hexol,2s,3r-flavan-3,5,7,3',4',5'-hexol,2s,3r-2-3,4,5-trihydroxyphenyl-3,4-dihydro-2h-chromene-3,5,7-triol,2s,3r---2-3,4,5-trihydroxyphenyl-3,4-dihydro-2h-chromene-3,5,7-triol,gallocatechingc,l-gallocatechin |
IUPAC Name | (2S,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
InChI Key | XMOCLSLCDHWDHP-DOMZBBRYSA-N |
Molecular Formula | C15H14O7 |
Hesperidin, 95%
CAS: 520-26-3 Molecular Formula: C28H34O15 Molecular Weight (g/mol): 610.57 MDL Number: MFCD00075663 InChI Key: QUQPHWDTPGMPEX-QJBIFVCTSA-N Synonym: Hesperetin 7-rhamnoglucoside; Hesperitin-7-rutinoside PubChem CID: 45358131 IUPAC Name: (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one SMILES: COC1=CC=C(C=C1O)[C@@H]1CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1
PubChem CID | 45358131 |
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CAS | 520-26-3 |
Molecular Weight (g/mol) | 610.57 |
MDL Number | MFCD00075663 |
SMILES | COC1=CC=C(C=C1O)[C@@H]1CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1 |
Synonym | Hesperetin 7-rhamnoglucoside; Hesperitin-7-rutinoside |
IUPAC Name | (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one |
InChI Key | QUQPHWDTPGMPEX-QJBIFVCTSA-N |
Molecular Formula | C28H34O15 |