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(Ent-7alpha)-7-Hydroxy-8(14),15-pimaradien-19-oic acid

PropertiesImage
MNX_IDMNXM115323 Image of MNXM115323
referencechebi:181099
formulaC20H30O3
global charge0
mol weight318.457
InChIKeyPLKOJNUQWAKPNC-UHFFFAOYSA-N
InChIInChI=1S/C20H30O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,12,14-16,21H,1,6-11H2,2-4H3,(H,22,23)
SMILESC=CC1(C)C=C2C(O)CC3C(C)(C(=O)O)CCCC3(C)C2CC1
MNX internals
InChI (mnx)InChI=1/C20H30O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,12,14-16,21H,1,6-11H2,2-4H3,(H,22,23)/t14?,15?,16?,18?,19?,20? Image of MNXM115323
SMILES (mnx)[CH2:1]=[CH:5][C:18]1([CH3:2])[CH2:10][CH2:7][CH:14]2[C:13](=[CH:12]1)[CH:15]([OH:21])[CH2:11][CH:16]1[C:19]2([CH3:3])[CH2:8][CH2:6][CH2:9][C:20]1([CH3:4])[C:17](=[O:22])[OH:23]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:181099
chebi:181099
PLKOJNUQWAKPNC-UHFFFAOYSA-N 		(Ent-7alpha)-7-Hydroxy-8(14),15-pimaradien-19-oic acid
7-ethenyl-9-hydroxy-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
hmdb:HMDB0035116
PLKOJNUQWAKPNC-UHFFFAOYSA-N 		(ent-7alpha)-7-Hydroxy-8(14),15-pimaradien-19-oic acid
(ent-7a)-7-Hydroxy-8(14),15-pimaradien-19-Oate
(ent-7a)-7-Hydroxy-8(14),15-pimaradien-19-Oic acid
(ent-7alpha)-7-Hydroxy-8(14),15-pimaradien-19-Oate
(ent-7alpha)-7-hydroxy-8(14),15-pimaradien-19-Oate
(ent-7alpha)-7-hydroxy-8(14),15-pimaradien-19-Oic acid
2-Hydroxy-4-(methoxymethyl)-6-propylnicotinonitrile
7-Ethenyl-9-hydroxy-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylate
7-ethenyl-9-hydroxy-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylic acid
7-ethenyl-9-hydroxy-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
7a-7-Hydroxy-8(14),15-isopimaradien-18-Oate
7a-7-Hydroxy-8(14),15-isopimaradien-18-Oic acid
7alpha-7-Hydroxy-8(14),15-isopimaradien-18-Oate
7alpha-7-hydroxy-8(14),15-isopimaradien-18-Oate
7alpha-7-hydroxy-8(14),15-isopimaradien-18-Oic acid

hmdb:HMDB35116 		secondary/obsolete/fantasy identifier