Feedback

abieta-7,13-dien-18-oate

MNXM733988 is deprecated and replaced by MNXM733987

Properties

Image

Occurences in reactions

MNX_ID

MNXM733987

	#reac
in my sandbox	0
in MNXref (generic)	13
in models (compartimentalized)	0

formula

C₂₀H₂₉O₂

charge

-1

mass

301.2173

reference

chebi:35680

InChIKey

RSWGJHLUYNHPMX-ONCXSQPRSA-M

InChI

InChI=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

SMILES

CC(C)C1=CC2=CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@H]2CC1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:35680 chebi:35680	abieta-7,13-dien-18-oate abietate
seed.compound:cpd03627 seedM:cpd03627	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	Abietate Abieta-7,13-dien-18-oate Abietic acid
sabiork.compound:8384 sabiorkM:8384	Abietate Abietic acid
lipidmaps:LMPR0104050001 lipidmapsM:LMPR0104050001	Abietic acid
metacyc.compound:CPD-8694 metacycM:CPD-8694	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	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