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12-Hydroxy-11-methoxy-8,11,13-abietatrien-20-oic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM116131

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

formula

C₂₁H₃₀O₄

charge

mass

346.21441

reference

InChIKey

OMPKOMATCRRMCU-YCRPNKLZSA-N

InChI

InChI=1S/C21H30O4/c1-5-7-14-12-13-8-9-15-20(2,3)10-6-11-21(15,19(23)24)16(13)18(25-4)17(14)22/h12,15,22H,5-11H2,1-4H3,(H,23,24)/t15-,21+/m0/s1

SMILES

CCCc1cc2c(c(OC)c1O)[C@@]1(C(=O)O)CCCC(C)(C)[C@@H]1CC2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:174691 chebi:174691	12-Hydroxy-11-methoxy-8,11,13-abietatrien-20-oic acid (4aR,10aS)-6-hydroxy-5-methoxy-1,1-dimethyl-7-propyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
hmdb:HMDB0038031	12-Hydroxy-11-methoxy-8,11,13-abietatrien-20-oic acid (4AR,10as)-6-hydroxy-5-methoxy-1,1-dimethyl-7-propyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-4a-carboxylate (4aR,10aS)-6-hydroxy-5-methoxy-1,1-dimethyl-7-propyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-4a-carboxylic acid (4aR,10aS)-6-hydroxy-5-methoxy-1,1-dimethyl-7-propyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid 12-Hydroxy-11-methoxy-8,11,13-abietatrien-20-Oate
hmdb:HMDB38031	secondary/obsolete/fantasy identifier