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abieta-7,13-dien-18-oate

MNXM733988 is deprecated and replaced by MNXM733987
PropertiesImage
MNX_IDMNXM733987 Image of MNXM733987
referencechebi:35680
formulaC20H29O2
global charge-1
mol weight301.45
InChIKeyRSWGJHLUYNHPMX-ONCXSQPRSA-M
InChIInChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/p-1/t16-,17+,19+,20+/m0/s1
SMILESCC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)[O-])[C@H]2CC1
MNX internals
InChI (mnx)InChI=1/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1 Image of MNXM733987
SMILES (mnx)[CH3:1][CH:13]([CH3:2])[C:14]1=[CH:12][C:15]2=[CH:7][CH2:9][C@@H:17]3[C@:19]([CH3:3])([CH2:10][CH2:5][CH2:11][C@@:20]3([CH3:4])[C:18](=[O:21])[OH:22])[C@H:16]2[CH2:8][CH2:6]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)13
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:35680
chebi:35680
RSWGJHLUYNHPMX-ONCXSQPRSA-M
abieta-7,13-dien-18-oate
abietate

seed.compound:cpd03627
seedM:cpd03627
RSWGJHLUYNHPMX-ONCXSQPRSA-M
Abietate
(1R,4aR,4bR,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate
13-isopropylpodocarpa-7,13-dien-15-oic acid
7,13-abietadien-18-oic acid
AbA
Abietic acid
abieta-7,13-diene-18-oate
abietic acid
sylvic acid

kegg.compound:C06087
keggC:C06087
RSWGJHLUYNHPMX-ONCXSQPRSA-N
Abietate
Abieta-7,13-dien-18-oate
Abietic acid

sabiork.compound:8384
sabiorkM:8384
RSWGJHLUYNHPMX-ONCXSQPRSA-M
Abietate
Abietic acid

lipidmaps:LMPR0104050001
lipidmapsM:LMPR0104050001
RSWGJHLUYNHPMX-ONCXSQPRSA-N
Abietic acid

metacyc.compound:CPD-8694
metacycM:CPD-8694
RSWGJHLUYNHPMX-ONCXSQPRSA-M
abieta-7,13-diene-18-oate
(1R,4aR,4bR,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate
13-isopropylpodocarpa-7,13-dien-15-oic acid
7,13-abietadien-18-oic acid
AbA
abietic acid
sylvic acid

CHEBI:28987
chebi:28987
RSWGJHLUYNHPMX-ONCXSQPRSA-N
abietic acid
(1R,4aR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,5,6,10,10a-decahydrophenanthrene-1-carboxylic acid
13-isopropylpodocarpa-7,13-dien-15-oic acid
7,13-abietadien-18-oic acid
Abietic acid
abieta-7,13-dien-18-oic acid
sylvic acid

chebi:22143
chebi:2363
keggC:M_C06087
seedM:M_cpd03627
secondary/obsolete/fantasy identifier