Fatty acid conjugates

Positional and geometric isomers of fatty acids with conjugated double bonds; implies four consecutive unsaturated links, and results in a delocalization of electrons along the double-bonded carbons; available in carbon chains of varying length.

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11-Maleimidoundecanoic acid

CAS: 57079-01-3 Molecular Formula: C15H23NO4 Molecular Weight (g/mol): 281.352 MDL Number: MFCD00941279 InChI Key: UVZTZBRGZXIBLZ-UHFFFAOYSA-N Synonym: 11-maleimidoundecanoic acid,11-2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl undecanoic acid,unii-lg78ey7hvb,n-10-carboxydecyl maleimide,11-2,5-dioxopyrrol-1-yl undecanoic acid,lg78ey7hvb,maleimide-ch2 10-cooh,1h-pyrrole-1-undecanoic acid, 2,5-dihydro-2,5-dioxo,kmua,pubchem11837 PubChem CID: 4618600 IUPAC Name: 11-(2,5-dioxopyrrol-1-yl)undecanoic acid SMILES: C1=CC(=O)N(C1=O)CCCCCCCCCCC(=O)O

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Specifications

PubChem CID	4618600
CAS	57079-01-3
Molecular Weight (g/mol)	281.352
MDL Number	MFCD00941279
SMILES	C1=CC(=O)N(C1=O)CCCCCCCCCCC(=O)O
Synonym	11-maleimidoundecanoic acid,11-2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl undecanoic acid,unii-lg78ey7hvb,n-10-carboxydecyl maleimide,11-2,5-dioxopyrrol-1-yl undecanoic acid,lg78ey7hvb,maleimide-ch2 10-cooh,1h-pyrrole-1-undecanoic acid, 2,5-dihydro-2,5-dioxo,kmua,pubchem11837
IUPAC Name	11-(2,5-dioxopyrrol-1-yl)undecanoic acid
InChI Key	UVZTZBRGZXIBLZ-UHFFFAOYSA-N
Molecular Formula	C15H23NO4

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Undecanoic acid, 98%

CAS: 112-37-8 Molecular Formula: C11H22O2 Molecular Weight (g/mol): 186.295 MDL Number: MFCD00002730 InChI Key: ZDPHROOEEOARMN-UHFFFAOYSA-N Synonym: hendecanoic acid,undecylic acid,n-undecanoic acid,n-undecoic acid,n-undecylic acid,undecoic acid,undecanoate,1-decanecarboxylic acid,undekansaeure,unii-138on3iiqg PubChem CID: 8180 ChEBI: CHEBI:32368 IUPAC Name: undecanoic acid SMILES: CCCCCCCCCCC(=O)O

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Specifications

PubChem CID	8180
CAS	112-37-8
Molecular Weight (g/mol)	186.295
ChEBI	CHEBI:32368
MDL Number	MFCD00002730
SMILES	CCCCCCCCCCC(=O)O
Synonym	hendecanoic acid,undecylic acid,n-undecanoic acid,n-undecoic acid,n-undecylic acid,undecoic acid,undecanoate,1-decanecarboxylic acid,undekansaeure,unii-138on3iiqg
IUPAC Name	undecanoic acid
InChI Key	ZDPHROOEEOARMN-UHFFFAOYSA-N
Molecular Formula	C11H22O2

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Sodium hydrogen fumarate, 98%

CAS: 5873-57-4 Molecular Formula: C4H2NaO4 Molecular Weight (g/mol): 137.05 MDL Number: MFCD00039097 InChI Key: VRVKOZSIJXBAJG-TYYBGVCCSA-L Synonym: sodium hydrogen fumarate,monosodium fumarate,sodium fumarate,maleic acid, sodium salt,maleinian sodu polish,fumaric acid monosodium salt,ccris 7315,2-butenedioic acid 2z-, sodium salt,sodium e-3-carboxyacrylate,maleinian sodu PubChem CID: 6076814 IUPAC Name: sodium;(E)-4-hydroxy-4-oxobut-2-enoate SMILES: [Na+].[O-]C(=O)\C=C\C([O-])=O

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Specifications

PubChem CID	6076814
CAS	5873-57-4
Molecular Weight (g/mol)	137.05
MDL Number	MFCD00039097
SMILES	[Na+].[O-]C(=O)\C=C\C([O-])=O
Synonym	sodium hydrogen fumarate,monosodium fumarate,sodium fumarate,maleic acid, sodium salt,maleinian sodu polish,fumaric acid monosodium salt,ccris 7315,2-butenedioic acid 2z-, sodium salt,sodium e-3-carboxyacrylate,maleinian sodu
IUPAC Name	sodium;(E)-4-hydroxy-4-oxobut-2-enoate
InChI Key	VRVKOZSIJXBAJG-TYYBGVCCSA-L
Molecular Formula	C4H2NaO4

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Thermo Scientific Chemicals Lauric acid, 99%

CAS: 143-07-7 Molecular Formula: C₁₂H₂₄O₂ Molecular Weight (g/mol): 200.32 MDL Number: MFCD00002736 InChI Key: POULHZVOKOAJMA-UHFFFAOYSA-N Synonym: lauric acid,n-dodecanoic acid,dodecylic acid,vulvic acid,laurostearic acid,dodecoic acid,duodecylic acid,1-undecanecarboxylic acid,aliphat no. 4,neo-fat 12 PubChem CID: 3893 ChEBI: CHEBI:30805 IUPAC Name: dodecanoic acid SMILES: CCCCCCCCCCCC(=O)O

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Specifications

PubChem CID	3893
CAS	143-07-7
Molecular Weight (g/mol)	200.32
ChEBI	CHEBI:30805
MDL Number	MFCD00002736
SMILES	CCCCCCCCCCCC(=O)O
Synonym	lauric acid,n-dodecanoic acid,dodecylic acid,vulvic acid,laurostearic acid,dodecoic acid,duodecylic acid,1-undecanecarboxylic acid,aliphat no. 4,neo-fat 12
IUPAC Name	dodecanoic acid
InChI Key	POULHZVOKOAJMA-UHFFFAOYSA-N
Molecular Formula	C₁₂H₂₄O₂

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Stearic acid, 98%

CAS: 57-11-4 Molecular Formula: C18H36O2 Molecular Weight (g/mol): 284.48 MDL Number: MFCD00002752 InChI Key: QIQXTHQIDYTFRH-UHFFFAOYSA-N Synonym: stearic acid,stearophanic acid,n-octadecanoic acid,cetylacetic acid,pearl stearic,stearex beads,octadecansaeure,stearinsaeure,vanicol,1-heptadecanecarboxylic acid PubChem CID: 5281 ChEBI: CHEBI:28842 IUPAC Name: octadecanoic acid SMILES: CCCCCCCCCCCCCCCCCC(O)=O

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Specifications

PubChem CID	5281
CAS	57-11-4
Molecular Weight (g/mol)	284.48
ChEBI	CHEBI:28842
MDL Number	MFCD00002752
SMILES	CCCCCCCCCCCCCCCCCC(O)=O
Synonym	stearic acid,stearophanic acid,n-octadecanoic acid,cetylacetic acid,pearl stearic,stearex beads,octadecansaeure,stearinsaeure,vanicol,1-heptadecanecarboxylic acid
IUPAC Name	octadecanoic acid
InChI Key	QIQXTHQIDYTFRH-UHFFFAOYSA-N
Molecular Formula	C18H36O2

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Pentadecanoic acid, 99%

CAS: 1002-84-2 Molecular Formula: C15H30O2 Molecular Weight (g/mol): 242.403 MDL Number: MFCD00002745 InChI Key: WQEPLUUGTLDZJY-UHFFFAOYSA-N Synonym: pentadecylic acid,n-pentadecanoic acid,pentadecyclic acid,n-pentadecylic acid,unii-ccw02d961f,pentadecyclate,n-pentadecylate,n-pentadecanoate,n-pentadecanoicacid,pentadecansäure PubChem CID: 13849 ChEBI: CHEBI:42504 IUPAC Name: pentadecanoic acid SMILES: CCCCCCCCCCCCCCC(=O)O

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Specifications

PubChem CID	13849
CAS	1002-84-2
Molecular Weight (g/mol)	242.403
ChEBI	CHEBI:42504
MDL Number	MFCD00002745
SMILES	CCCCCCCCCCCCCCC(=O)O
Synonym	pentadecylic acid,n-pentadecanoic acid,pentadecyclic acid,n-pentadecylic acid,unii-ccw02d961f,pentadecyclate,n-pentadecylate,n-pentadecanoate,n-pentadecanoicacid,pentadecansäure
IUPAC Name	pentadecanoic acid
InChI Key	WQEPLUUGTLDZJY-UHFFFAOYSA-N
Molecular Formula	C15H30O2

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Heneicosanoic acid, 99%

CAS: 2363-71-5 Molecular Formula: C₂₁H₄₂O₂ Molecular Weight (g/mol): 326.55 MDL Number: MFCD00002805 InChI Key: CKDDRHZIAZRDBW-UHFFFAOYSA-N Synonym: heneicosanoic acid,n-heneicosanoic acid,heneicosylic acid,henicosanoate,heneicosanate,heneicosanoate,n-heneicosanoate,heneicosanoicacid,heneicosanic acid,n-heneicosylic acid PubChem CID: 16898 ChEBI: CHEBI:39248 IUPAC Name: henicosanoic acid SMILES: CCCCCCCCCCCCCCCCCCCCC(=O)O

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Specifications

PubChem CID	16898
CAS	2363-71-5
Molecular Weight (g/mol)	326.55
ChEBI	CHEBI:39248
MDL Number	MFCD00002805
SMILES	CCCCCCCCCCCCCCCCCCCCC(=O)O
Synonym	heneicosanoic acid,n-heneicosanoic acid,heneicosylic acid,henicosanoate,heneicosanate,heneicosanoate,n-heneicosanoate,heneicosanoicacid,heneicosanic acid,n-heneicosylic acid
IUPAC Name	henicosanoic acid
InChI Key	CKDDRHZIAZRDBW-UHFFFAOYSA-N
Molecular Formula	C₂₁H₄₂O₂

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(R)-2-(Boc-amino)butyric acid, 95%

CAS: 45121-22-0 Molecular Formula: C9H17NO4 Molecular Weight (g/mol): 203.238 MDL Number: MFCD00270335 InChI Key: PNFVIPIQXAIUAY-ZCFIWIBFSA-N Synonym: boc-d-abu-oh,r-2-tert-butoxycarbonyl amino butanoic acid,r-n-boc-2-aminobutyric acid,boc-d-alpha-aminobutyric acid,boc-r-2-aminobutyric acid,boc-d-2-aminobutyric acid,2r-2-tert-butoxycarbonyl amino butanoic acid,2r-2-tert-butoxy carbonyl amino butanoic acid,butanoic acid, 2-1,1-dimethylethoxy carbonyl amino-, 2r,2-r-tert-butoxycarbonylaminobutyric acid PubChem CID: 2755936 IUPAC Name: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid SMILES: CCC(C(=O)O)NC(=O)OC(C)(C)C

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Specifications

PubChem CID	2755936
CAS	45121-22-0
Molecular Weight (g/mol)	203.238
MDL Number	MFCD00270335
SMILES	CCC(C(=O)O)NC(=O)OC(C)(C)C
Synonym	boc-d-abu-oh,r-2-tert-butoxycarbonyl amino butanoic acid,r-n-boc-2-aminobutyric acid,boc-d-alpha-aminobutyric acid,boc-r-2-aminobutyric acid,boc-d-2-aminobutyric acid,2r-2-tert-butoxycarbonyl amino butanoic acid,2r-2-tert-butoxy carbonyl amino butanoic acid,butanoic acid, 2-1,1-dimethylethoxy carbonyl amino-, 2r,2-r-tert-butoxycarbonylaminobutyric acid
IUPAC Name	(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI Key	PNFVIPIQXAIUAY-ZCFIWIBFSA-N
Molecular Formula	C9H17NO4

Zinc stearate, ZnO 12.5-14%

CAS: 557-05-1 Molecular Formula: C36H70O4Zn Molecular Weight (g/mol): 632.332 MDL Number: MFCD00013031 InChI Key: XOOUIPVCVHRTMJ-UHFFFAOYSA-L Synonym: zinc stearate,zinc distearate,zinc octadecanoate,stearates,hydense,metallac,hytech,mathe,coad,zink distearat PubChem CID: 11178 IUPAC Name: zinc;octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Zn+2]

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Specifications

PubChem CID	11178
CAS	557-05-1
Molecular Weight (g/mol)	632.332
MDL Number	MFCD00013031
SMILES	CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Zn+2]
Synonym	zinc stearate,zinc distearate,zinc octadecanoate,stearates,hydense,metallac,hytech,mathe,coad,zink distearat
IUPAC Name	zinc;octadecanoate
InChI Key	XOOUIPVCVHRTMJ-UHFFFAOYSA-L
Molecular Formula	C36H70O4Zn

Cerium(III) 2-ethylhexanoate, 49% in 2-ethylhexanoic acid, Ce 12%

CAS: 56797-01-4 Molecular Formula: C24H45CeO6 Molecular Weight (g/mol): 569.73 MDL Number: MFCD00014004 InChI Key: GGVUYAXGAOIFIC-UHFFFAOYNA-K Synonym: cerium iii 2-ethylhexanoate,hexanoic acid, 2-ethyl-, cerium salt,cerium tris 2-ethylhexanoate,hexanoic acid, 2-ethyl-, cerium salt 1:?,hexanoic acid, 2-ethyl-, cerium 3+ salt 3:1,hexanoic acid, 2-ethyl-, cerium 3+ salt,cerium 2-ethylhexanoate,cerous 2-ethylhexanoate,2-ethylhexanoic acid, cerium salt,cerium hex-cem PubChem CID: 62122 IUPAC Name: cerium(3+);2-ethylhexanoate SMILES: [Ce+3].CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O

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Specifications

PubChem CID	62122
CAS	56797-01-4
Molecular Weight (g/mol)	569.73
MDL Number	MFCD00014004
SMILES	[Ce+3].CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O
Synonym	cerium iii 2-ethylhexanoate,hexanoic acid, 2-ethyl-, cerium salt,cerium tris 2-ethylhexanoate,hexanoic acid, 2-ethyl-, cerium salt 1:?,hexanoic acid, 2-ethyl-, cerium 3+ salt 3:1,hexanoic acid, 2-ethyl-, cerium 3+ salt,cerium 2-ethylhexanoate,cerous 2-ethylhexanoate,2-ethylhexanoic acid, cerium salt,cerium hex-cem
IUPAC Name	cerium(3+);2-ethylhexanoate
InChI Key	GGVUYAXGAOIFIC-UHFFFAOYNA-K
Molecular Formula	C24H45CeO6

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Tetradecanedioic acid, 98%

CAS: 821-38-5 Molecular Formula: C14H26O4 Molecular Weight (g/mol): 258.358 MDL Number: MFCD00002743 InChI Key: HQHCYKULIHKCEB-UHFFFAOYSA-N Synonym: 1,12-dodecanedicarboxylic acid,tetradecane-1,14-dioic acid,1,14-tetradecanedioic acid,unii-uec3ac47h1,dodecamethylenedicarboxylic acid,tetradecanedicarboxylic acid,uec3ac47h1,1,12-dodecanedicarboxylicacid,tetradecanedicarboxylate,pubchem18099 PubChem CID: 13185 ChEBI: CHEBI:76308 IUPAC Name: tetradecanedioic acid SMILES: C(CCCCCCC(=O)O)CCCCCC(=O)O

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Specifications

PubChem CID	13185
CAS	821-38-5
Molecular Weight (g/mol)	258.358
ChEBI	CHEBI:76308
MDL Number	MFCD00002743
SMILES	C(CCCCCCC(=O)O)CCCCCC(=O)O
Synonym	1,12-dodecanedicarboxylic acid,tetradecane-1,14-dioic acid,1,14-tetradecanedioic acid,unii-uec3ac47h1,dodecamethylenedicarboxylic acid,tetradecanedicarboxylic acid,uec3ac47h1,1,12-dodecanedicarboxylicacid,tetradecanedicarboxylate,pubchem18099
IUPAC Name	tetradecanedioic acid
InChI Key	HQHCYKULIHKCEB-UHFFFAOYSA-N
Molecular Formula	C14H26O4

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Sodium 2-ethylhexanoate, 97%

CAS: 19766-89-3 Molecular Formula: C8H15NaO2 Molecular Weight (g/mol): 166.20 MDL Number: MFCD00014007 InChI Key: VYPDUQYOLCLEGS-UHFFFAOYNA-M Synonym: sodium 2-ethylhexanoate,hexanoic acid, 2-ethyl-, sodium salt,2-ethylhexanoic acid sodium salt,sodium-2-ethylcaproate,2-ethylcaproic acid sodium salt,hexanoic acid, 2-ethyl-, sodium salt 1:1,sodium 2ethylhexanoate,sodium 2-ethylcaproate,sodium 2-ethyl-hexanoate PubChem CID: 23672331 IUPAC Name: sodium;2-ethylhexanoate SMILES: [Na+].CCCCC(CC)C([O-])=O

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Specifications

PubChem CID	23672331
CAS	19766-89-3
Molecular Weight (g/mol)	166.20
MDL Number	MFCD00014007
SMILES	[Na+].CCCCC(CC)C([O-])=O
Synonym	sodium 2-ethylhexanoate,hexanoic acid, 2-ethyl-, sodium salt,2-ethylhexanoic acid sodium salt,sodium-2-ethylcaproate,2-ethylcaproic acid sodium salt,hexanoic acid, 2-ethyl-, sodium salt 1:1,sodium 2ethylhexanoate,sodium 2-ethylcaproate,sodium 2-ethyl-hexanoate
IUPAC Name	sodium;2-ethylhexanoate
InChI Key	VYPDUQYOLCLEGS-UHFFFAOYNA-M
Molecular Formula	C8H15NaO2

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Thermo Scientific Chemicals cis-4,7,10,13,16,19-Docosahexaenoic acid, 98%

CAS: 6217-54-5 Molecular Formula: C₂₂H₃₂O₂ Molecular Weight (g/mol): 328.49 InChI Key: MBMBGCFOFBJSGT-OBOJEMQYSA-N PubChem CID: 57417355 IUPAC Name: (4E,7E,10E,13E,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid SMILES: CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O

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Specifications

PubChem CID	57417355
CAS	6217-54-5
Molecular Weight (g/mol)	328.49
SMILES	CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O
IUPAC Name	(4E,7E,10E,13E,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
InChI Key	MBMBGCFOFBJSGT-OBOJEMQYSA-N
Molecular Formula	C₂₂H₃₂O₂

9-cis-Retinoic acid

CAS: 5300-03-8 Molecular Formula: C20H28O2 Molecular Weight (g/mol): 300.44 MDL Number: MFCD00270072 InChI Key: SHGAZHPCJJPHSC-YCNIQYBTSA-N Synonym: alitretinoin,9-cis-retinoic acid,panretin,9-cis-tretinoin,panrexin,panretyn,panretin gel,toctino,9-cis retinoic acid,9 z-retinoic acid PubChem CID: 449171 ChEBI: CHEBI:50648 IUPAC Name: (2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C

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Specifications

PubChem CID	449171
CAS	5300-03-8
Molecular Weight (g/mol)	300.44
ChEBI	CHEBI:50648
MDL Number	MFCD00270072
SMILES	CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
Synonym	alitretinoin,9-cis-retinoic acid,panretin,9-cis-tretinoin,panrexin,panretyn,panretin gel,toctino,9-cis retinoic acid,9 z-retinoic acid
IUPAC Name	(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
InChI Key	SHGAZHPCJJPHSC-YCNIQYBTSA-N
Molecular Formula	C20H28O2

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Thermo Scientific Chemicals Mycophenolic acid, 98%

CAS: 24280-93-1 Molecular Formula: C₁₇H₂₀O₆ Molecular Weight (g/mol): 320.34 InChI Key: HPNSFSBZBAHARI-RUDMXATFSA-N Synonym: mycophenolic acid,mycophenolate,melbex,myfortic,mycophenolsaeure,acido micofenolico,micofenolico acido,acide mycophenolique,acidum mycophenolicum,6-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl-4-methyl-4-hexenoic acid PubChem CID: 446541 ChEBI: CHEBI:168396 IUPAC Name: (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid SMILES: CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)O)OC

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Specifications

PubChem CID	446541
CAS	24280-93-1
Molecular Weight (g/mol)	320.34
ChEBI	CHEBI:168396
SMILES	CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)O)OC
Synonym	mycophenolic acid,mycophenolate,melbex,myfortic,mycophenolsaeure,acido micofenolico,micofenolico acido,acide mycophenolique,acidum mycophenolicum,6-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl-4-methyl-4-hexenoic acid
IUPAC Name	(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
InChI Key	HPNSFSBZBAHARI-RUDMXATFSA-N
Molecular Formula	C₁₇H₂₀O₆

Fatty acid conjugates

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