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beta-Elemolic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM119732

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

formula

C₃₀H₄₈O₃

charge

mass

456.36035

reference

chebi:173154

InChIKey

NBSBUIQBEPROBM-UHFFFAOYSA-N

InChI

InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)

SMILES

CC(C)=CCCC(C(=O)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:173154 chebi:173154	beta-Elemolic acid 2-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methylhept-5-enoic acid
hmdb:HMDB0034961	beta-Elemolic acid 2-{5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-6-methylhept-5-enoate 2-{5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-6-methylhept-5-enoic acid b-Elemolate b-Elemolic acid beta-Elemolate beta-elemolate beta-elemolic acid
hmdb:HMDB34961	secondary/obsolete/fantasy identifier