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ursolic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM88617

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₃₀H₄₈O₃

charge

mass

456.36035

reference

chebi:9908

InChIKey

WCGUUGGRBIKTOS-GPOJBZKASA-N

InChI

InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1

SMILES

C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:9908 chebi:9908 lipidmaps:LMPR0106180007 lipidmapsM:LMPR0106180007	ursolic acid (3beta)-3-hydroxyurs-12-en-28-oic acid 3beta-hydroxyurs-12-en-28-oic acid Ursolic acid malol prunol urson
kegg.compound:C08988 keggC:C08988	Ursolic acid
hmdb:HMDB0002395	Ursolic acid (+)-Ursolic acid (1S,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid (3b)-3-Hydroxyurs-12-en-28-oate (3b)-3-Hydroxyurs-12-en-28-oic acid (3beta)-3-Hydroxy-urs-12-en-28-oate (3beta)-3-Hydroxy-urs-12-en-28-oic acid (3beta)-3-Hydroxyurs-12-en-28-oate (3beta)-3-Hydroxyurs-12-en-28-oic acid 3-Epi-ursolic acid 3beta-Hydroxy-12-ursen-28-ic acid 3beta-Hydroxy-urs-12-en-28-oate 3beta-Hydroxy-urs-12-en-28-oic acid 3beta-Hydroxyurs-12-en-28-oate 3beta-Hydroxyurs-12-en-28-oic acid Malol Merotaine Prunol Ursolate Urson beta-Ursolic acid ursolic acid
seed.compound:cpd05884 seedM:cpd05884	Ursolic acid 3beta-hydroxyurs-12-en-28-oic acid beta-ursolic acid malol prunol ursolate ursolic acid urson
metacyc.compound:CPD-14496 metacycM:CPD-14496	ursolate 3beta-hydroxyurs-12-en-28-oic acid beta-ursolic acid malol prunol ursolic acid urson
hmdb:HMDB02395 keggC:M_C08988 seedM:M_cpd05884	secondary/obsolete/fantasy identifier