Monoterpenoids

A diverse, modified class of terpenoids comprising two isoprene units and containing oxygen functionality or missing a methyl group; they have relevance to the pharmaceutical, cosmetic, agricultural, and food industries.

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1 – 15 of 288 results

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Citral, cis + trans, 95%

CAS: 5392-40-5 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00006997 InChI Key: WTEVQBCEXWBHNA-JXMROGBWSA-N Synonym: citral,geranial,trans-citral,3,7-dimethylocta-2,6-dienal,geranialdehyde,e-citral,citral a,2e-3,7-dimethylocta-2,6-dienal,alpha-citral,lemsyn gb PubChem CID: 638011 ChEBI: CHEBI:16980 IUPAC Name: (2E)-3,7-dimethylocta-2,6-dienal SMILES: CC(C)=CCC\C(C)=C\C=O

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PubChem CID	638011
CAS	5392-40-5
Molecular Weight (g/mol)	152.24
ChEBI	CHEBI:16980
MDL Number	MFCD00006997
SMILES	CC(C)=CCC\C(C)=C\C=O
Synonym	citral,geranial,trans-citral,3,7-dimethylocta-2,6-dienal,geranialdehyde,e-citral,citral a,2e-3,7-dimethylocta-2,6-dienal,alpha-citral,lemsyn gb
IUPAC Name	(2E)-3,7-dimethylocta-2,6-dienal
InChI Key	WTEVQBCEXWBHNA-JXMROGBWSA-N
Molecular Formula	C10H16O

1,4-Cineole, 85%

CAS: 470-67-7 Molecular Formula: C₁₀H₁₈O Molecular Weight (g/mol): 154.25 InChI Key: RFFOTVCVTJUTAD-UHFFFAOYSA-N Synonym: 1,4-cineole,isocineole,1,4-cineol,1,4-epoxy-p-menthane,isocineple,1,4-cineole natural,p-menthane, 1,4-epoxy,unii-b55jtu839b,fema no. 3658 PubChem CID: 10106 ChEBI: CHEBI:80788 IUPAC Name: 1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane SMILES: CC(C)C12CCC(O1)(CC2)C

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PubChem CID	10106
CAS	470-67-7
Molecular Weight (g/mol)	154.25
ChEBI	CHEBI:80788
SMILES	CC(C)C12CCC(O1)(CC2)C
Synonym	1,4-cineole,isocineole,1,4-cineol,1,4-epoxy-p-menthane,isocineple,1,4-cineole natural,p-menthane, 1,4-epoxy,unii-b55jtu839b,fema no. 3658
IUPAC Name	1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
InChI Key	RFFOTVCVTJUTAD-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₈O

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(+)-Dihydrocarvone, 98%, mixture of isomers

CAS: 5524-05-0 Molecular Formula: C₁₀H₁₆O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00001636 InChI Key: AZOCECCLWFDTAP-RKDXNWHRSA-N Synonym: +-dihydrocarvone,d-dihydrocarvone,1r,4r-dihydrocarvone,e-dihydrocarvone,unii-vta43h364z,2r-trans-2-methyl-5-1-methylvinyl cyclohexan-1-one,2r,5r-2-methyl-5-isopropenylcyclohexanone,2r,5r-5-isopropenyl-2-methylcyclohexanone,2r,5r-2-methyl-5-prop-1-en-2-yl cyclohexanone,cyclohexanone, 2-methyl-5-1-methylethenyl-, 2r,5r PubChem CID: 22227 ChEBI: CHEBI:154 IUPAC Name: (2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one SMILES: CC1CCC(CC1=O)C(=C)C

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Specifications

PubChem CID	22227
CAS	5524-05-0
Molecular Weight (g/mol)	152.24
ChEBI	CHEBI:154
MDL Number	MFCD00001636
SMILES	CC1CCC(CC1=O)C(=C)C
Synonym	+-dihydrocarvone,d-dihydrocarvone,1r,4r-dihydrocarvone,e-dihydrocarvone,unii-vta43h364z,2r-trans-2-methyl-5-1-methylvinyl cyclohexan-1-one,2r,5r-2-methyl-5-isopropenylcyclohexanone,2r,5r-5-isopropenyl-2-methylcyclohexanone,2r,5r-2-methyl-5-prop-1-en-2-yl cyclohexanone,cyclohexanone, 2-methyl-5-1-methylethenyl-, 2r,5r
IUPAC Name	(2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
InChI Key	AZOCECCLWFDTAP-RKDXNWHRSA-N
Molecular Formula	C₁₀H₁₆O

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(+)-Diisopinocampheylchloroborane, 1.8M solution in hexanes, AcroSeal™, Thermo Scientific Chemicals

CAS: 112246-73-8 Molecular Formula: C20H34BCl Molecular Weight (g/mol): 320.75 MDL Number: MFCD00074808 InChI Key: PSEHHVRCDVOTID-NAVXHOJHSA-N Synonym: +-b-chlorodiisopinocamphenylborane PubChem CID: 133124869 IUPAC Name: chloro-bis[(3R,4S,5R)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane SMILES: C[C@H]1[C@@H]2C[C@H](C[C@@H]1B(Cl)[C@H]1C[C@H]3C[C@@H]([C@@H]1C)C3(C)C)C2(C)C

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PubChem CID	133124869
CAS	112246-73-8
Molecular Weight (g/mol)	320.75
MDL Number	MFCD00074808
SMILES	C[C@H]1[C@@H]2C[C@H](C[C@@H]1B(Cl)[C@H]1C[C@H]3C[C@@H]([C@@H]1C)C3(C)C)C2(C)C
Synonym	+-b-chlorodiisopinocamphenylborane
IUPAC Name	chloro-bis[(3R,4S,5R)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane
InChI Key	PSEHHVRCDVOTID-NAVXHOJHSA-N
Molecular Formula	C20H34BCl

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Norcamphor, 98+%

CAS: 497-38-1 Molecular Formula: C7H10O Molecular Weight (g/mol): 110.156 MDL Number: MFCD00074823 InChI Key: KPMKEVXVVHNIEY-UHFFFAOYSA-N Synonym: norcamphor,2-norbornanone,bicyclo 2.2.1 heptan-2-one,norcampher,2-oxonorbornane,norbornan-2-one,2,5-methanocyclohexanone,8,9,10-trinorbornan-2-one,bicyclo 2.2.1 heptan-3-one PubChem CID: 10345 IUPAC Name: bicyclo[2.2.1]heptan-3-one SMILES: C1CC2CC1CC2=O

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PubChem CID	10345
CAS	497-38-1
Molecular Weight (g/mol)	110.156
MDL Number	MFCD00074823
SMILES	C1CC2CC1CC2=O
Synonym	norcamphor,2-norbornanone,bicyclo 2.2.1 heptan-2-one,norcampher,2-oxonorbornane,norbornan-2-one,2,5-methanocyclohexanone,8,9,10-trinorbornan-2-one,bicyclo 2.2.1 heptan-3-one
IUPAC Name	bicyclo[2.2.1]heptan-3-one
InChI Key	KPMKEVXVVHNIEY-UHFFFAOYSA-N
Molecular Formula	C7H10O

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(R)-(+)-Limonene, 96%

CAS: 5989-27-5 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.24 MDL Number: MFCD00062991 InChI Key: XMGQYMWWDOXHJM-JTQLQIEISA-N Synonym: d-limonene,+-limonene,r-+-limonene,+-4r-limonene,+-carvene,+-dipentene,citrene,+-p-mentha-1,8-diene,4r-limonene,d-+-limonene PubChem CID: 440917 ChEBI: CHEBI:15382 IUPAC Name: (4R)-1-methyl-4-prop-1-en-2-ylcyclohexene SMILES: CC(=C)[C@@H]1CCC(C)=CC1

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Specifications

PubChem CID	440917
CAS	5989-27-5
Molecular Weight (g/mol)	136.24
ChEBI	CHEBI:15382
MDL Number	MFCD00062991
SMILES	CC(=C)[C@@H]1CCC(C)=CC1
Synonym	d-limonene,+-limonene,r-+-limonene,+-4r-limonene,+-carvene,+-dipentene,citrene,+-p-mentha-1,8-diene,4r-limonene,d-+-limonene
IUPAC Name	(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene
InChI Key	XMGQYMWWDOXHJM-JTQLQIEISA-N
Molecular Formula	C10H16

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D(+)-Fenchone, 97%

CAS: 4695-62-9 Molecular Formula: C₁₀H₁₆O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00070689 InChI Key: LHXDLQBQYFFVNW-XCBNKYQSSA-N Synonym: +-fenchone,1s-1,3,3-trimethylbicyclo 2.2.1 heptan-2-one,1s-1,3,3-trimethyl-norbornan-2-one PubChem CID: 1201521 ChEBI: CHEBI:165 IUPAC Name: (1R,4S)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-one SMILES: CC1(C2CCC(C2)(C1=O)C)C

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Specifications

PubChem CID	1201521
CAS	4695-62-9
Molecular Weight (g/mol)	152.24
ChEBI	CHEBI:165
MDL Number	MFCD00070689
SMILES	CC1(C2CCC(C2)(C1=O)C)C
Synonym	+-fenchone,1s-1,3,3-trimethylbicyclo 2.2.1 heptan-2-one,1s-1,3,3-trimethyl-norbornan-2-one
IUPAC Name	(1R,4S)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-one
InChI Key	LHXDLQBQYFFVNW-XCBNKYQSSA-N
Molecular Formula	C₁₀H₁₆O

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3-Carene, 90%, stabilized

CAS: 13466-78-9 Molecular Formula: C₁₀H₁₆ Molecular Weight (g/mol): 136.23 MDL Number: MFCD00001315 InChI Key: BQOFWKZOCNGFEC-UHFFFAOYSA-N Synonym: 3-carene,carene,3,7,7-trimethylbicyclo 4.1.0 hept-3-ene,delta-3-carene,monoterpenes,alpha-carene,bicyclo 4.1.0 hept-3-ene, 3,7,7-trimethyl,+--delta3-carene,+ car-3-ene,+--3-carene PubChem CID: 26049 ChEBI: CHEBI:35661 IUPAC Name: 4,7,7-trimethylbicyclo[4.1.0]hept-3-ene SMILES: CC1=CCC2C(C1)C2(C)C

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PubChem CID	26049
CAS	13466-78-9
Molecular Weight (g/mol)	136.23
ChEBI	CHEBI:35661
MDL Number	MFCD00001315
SMILES	CC1=CCC2C(C1)C2(C)C
Synonym	3-carene,carene,3,7,7-trimethylbicyclo 4.1.0 hept-3-ene,delta-3-carene,monoterpenes,alpha-carene,bicyclo 4.1.0 hept-3-ene, 3,7,7-trimethyl,+--delta3-carene,+ car-3-ene,+--3-carene
IUPAC Name	4,7,7-trimethylbicyclo[4.1.0]hept-3-ene
InChI Key	BQOFWKZOCNGFEC-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₆

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(1S)-(+)-Menthyl acetate, 99%

CAS: 5157-89-1 Molecular Formula: C12H22O2 Molecular Weight (g/mol): 198.306 MDL Number: MFCD00062977 InChI Key: XHXUANMFYXWVNG-DLOVCJGASA-N Synonym: neoisomenthyl acetate,+-menthylacetate,1s-2alpha-1-methylethyl-5alpha-methylcyclohexan-1alpha-ol acetate PubChem CID: 21630934 IUPAC Name: [(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] acetate SMILES: CC1CCC(C(C1)OC(=O)C)C(C)C

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Specifications

PubChem CID	21630934
CAS	5157-89-1
Molecular Weight (g/mol)	198.306
MDL Number	MFCD00062977
SMILES	CC1CCC(C(C1)OC(=O)C)C(C)C
Synonym	neoisomenthyl acetate,+-menthylacetate,1s-2alpha-1-methylethyl-5alpha-methylcyclohexan-1alpha-ol acetate
IUPAC Name	[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] acetate
InChI Key	XHXUANMFYXWVNG-DLOVCJGASA-N
Molecular Formula	C12H22O2

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DL-Menthol, 99%

CAS: 89-78-1 Molecular Formula: C₁₀H₂₀O Molecular Weight (g/mol): 156.27 MDL Number: MFCD00001484 InChI Key: NOOLISFMXDJSKH-IVZWLZJFSA-N Synonym: menthol,dl-menthol,2-isopropyl-5-methylcyclohexanol,menthyl alcohol,cyclohexanol, 5-methyl-2-1-methylethyl,p-menthan-3-ol,racementhol,caswell no. 540,3-p-menthol,+-neo-menthol PubChem CID: 6566020 IUPAC Name: (1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol SMILES: CC1CCC(C(C1)O)C(C)C

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Specifications

PubChem CID	6566020
CAS	89-78-1
Molecular Weight (g/mol)	156.27
MDL Number	MFCD00001484
SMILES	CC1CCC(C(C1)O)C(C)C
Synonym	menthol,dl-menthol,2-isopropyl-5-methylcyclohexanol,menthyl alcohol,cyclohexanol, 5-methyl-2-1-methylethyl,p-menthan-3-ol,racementhol,caswell no. 540,3-p-menthol,+-neo-menthol
IUPAC Name	(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol
InChI Key	NOOLISFMXDJSKH-IVZWLZJFSA-N
Molecular Formula	C₁₀H₂₀O

PubChem CID	638011
CAS	5392-40-5
Molecular Weight (g/mol)	152.24
ChEBI	CHEBI:16980
MDL Number	MFCD00006997
SMILES	CC(C)=CCC\C(C)=C\C=O
Synonym	citral,geranial,trans-citral,3,7-dimethylocta-2,6-dienal,geranialdehyde,e-citral,citral a,2e-3,7-dimethylocta-2,6-dienal,alpha-citral,lemsyn gb
IUPAC Name	(2E)-3,7-dimethylocta-2,6-dienal
InChI Key	WTEVQBCEXWBHNA-JXMROGBWSA-N
Molecular Formula	C10H16O

Pulegone, 92%, pract.

CAS: 89-82-7 Molecular Formula: C₁₀H₁₆O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00063000 InChI Key: NZGWDASTMWDZIW-QMMMGPOBSA-N Synonym: --pulegone,s---pulegone,pulegone,-,unii-hl7z89m60h,cyclohexanone, 5-methyl-2-1-methylethylidene-, s,s-p-menth-4 8-en-3-one,s-2-isopropylidene-5-methylcyclohexanone,5s-5-methyl-2-propan-2-ylidenecyclohexan-1-one PubChem CID: 638012 ChEBI: CHEBI:81226 IUPAC Name: (5S)-5-methyl-2-propan-2-ylidenecyclohexan-1-one SMILES: CC1CCC(=C(C)C)C(=O)C1

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Specifications

PubChem CID	638012
CAS	89-82-7
Molecular Weight (g/mol)	152.24
ChEBI	CHEBI:81226
MDL Number	MFCD00063000
SMILES	CC1CCC(=C(C)C)C(=O)C1
Synonym	--pulegone,s---pulegone,pulegone,-,unii-hl7z89m60h,cyclohexanone, 5-methyl-2-1-methylethylidene-, s,s-p-menth-4 8-en-3-one,s-2-isopropylidene-5-methylcyclohexanone,5s-5-methyl-2-propan-2-ylidenecyclohexan-1-one
IUPAC Name	(5S)-5-methyl-2-propan-2-ylidenecyclohexan-1-one
InChI Key	NZGWDASTMWDZIW-QMMMGPOBSA-N
Molecular Formula	C₁₀H₁₆O

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Thermo Scientific Chemicals Thymolphthalein

CAS: 125-20-2 Molecular Formula: C28H30O4 Molecular Weight (g/mol): 430.544 MDL Number: MFCD00005909 InChI Key: LDKDGDIWEUUXSH-UHFFFAOYSA-N Synonym: thymolphthalein,thymophthalein,unii-yg5i28wsqp,yg5i28wsqp,phenolphthalein, 5',5-diisopropyl-2',2-dimethyl,3,3-bis 4-hydroxy-5-isopropyl-2-methylphenyl-2-benzofuran-1 3h-one,1 3h-isobenzofuranone, 3,3-bis 4-hydroxy-2-methyl-5-1-methylethyl phenyl,5',5-diisopropyl-2',2-dimethylphenolphthalein,3,3-bis 4-hydroxy-2-methyl-5-propan-2-ylphenyl-2-benzofuran-1-one PubChem CID: 31316 IUPAC Name: 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one SMILES: CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O

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Specifications

PubChem CID	31316
CAS	125-20-2
Molecular Weight (g/mol)	430.544
MDL Number	MFCD00005909
SMILES	CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O
Synonym	thymolphthalein,thymophthalein,unii-yg5i28wsqp,yg5i28wsqp,phenolphthalein, 5',5-diisopropyl-2',2-dimethyl,3,3-bis 4-hydroxy-5-isopropyl-2-methylphenyl-2-benzofuran-1 3h-one,1 3h-isobenzofuranone, 3,3-bis 4-hydroxy-2-methyl-5-1-methylethyl phenyl,5',5-diisopropyl-2',2-dimethylphenolphthalein,3,3-bis 4-hydroxy-2-methyl-5-propan-2-ylphenyl-2-benzofuran-1-one
IUPAC Name	3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one
InChI Key	LDKDGDIWEUUXSH-UHFFFAOYSA-N
Molecular Formula	C28H30O4

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Thermo Scientific Chemicals Thymolphthalein, ACS reagent

CAS: 125-20-2 Molecular Formula: C₂₈H₃₀O₄ Molecular Weight (g/mol): 430.53 InChI Key: LDKDGDIWEUUXSH-UHFFFAOYSA-N Synonym: thymolphthalein,thymophthalein,unii-yg5i28wsqp,yg5i28wsqp,phenolphthalein, 5',5-diisopropyl-2',2-dimethyl,3,3-bis 4-hydroxy-5-isopropyl-2-methylphenyl-2-benzofuran-1 3h-one,1 3h-isobenzofuranone, 3,3-bis 4-hydroxy-2-methyl-5-1-methylethyl phenyl,5',5-diisopropyl-2',2-dimethylphenolphthalein,3,3-bis 4-hydroxy-2-methyl-5-propan-2-ylphenyl-2-benzofuran-1-one PubChem CID: 31316 IUPAC Name: 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one SMILES: CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O

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Specifications

PubChem CID	31316
CAS	125-20-2
Molecular Weight (g/mol)	430.53
SMILES	CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O
Synonym	thymolphthalein,thymophthalein,unii-yg5i28wsqp,yg5i28wsqp,phenolphthalein, 5',5-diisopropyl-2',2-dimethyl,3,3-bis 4-hydroxy-5-isopropyl-2-methylphenyl-2-benzofuran-1 3h-one,1 3h-isobenzofuranone, 3,3-bis 4-hydroxy-2-methyl-5-1-methylethyl phenyl,5',5-diisopropyl-2',2-dimethylphenolphthalein,3,3-bis 4-hydroxy-2-methyl-5-propan-2-ylphenyl-2-benzofuran-1-one
IUPAC Name	3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one
InChI Key	LDKDGDIWEUUXSH-UHFFFAOYSA-N
Molecular Formula	C₂₈H₃₀O₄

3-(2,2,3-Trimethylnorborn-5-yl)cyclohexyl acrylate

CAS: 903876-45-9 Molecular Formula: C19H30O2 Molecular Weight (g/mol): 290.45 MDL Number: MFCD22380703 InChI Key: CDBRNGRSVNBVLJ-UHFFFAOYNA-N Synonym: 3-5,5,6-trimethylbicyclo 2.2.1 heptan-2-yl cyclohexyl prop-2-enoate

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Specifications

CAS	903876-45-9
Molecular Weight (g/mol)	290.45
MDL Number	MFCD22380703
Synonym	3-5,5,6-trimethylbicyclo 2.2.1 heptan-2-yl cyclohexyl prop-2-enoate
InChI Key	CDBRNGRSVNBVLJ-UHFFFAOYNA-N
Molecular Formula	C19H30O2

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