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oleanolate

Properties

Image

Occurences in reactions

MNX_ID

MNXM20060

	#reac
in my sandbox	0
in MNXref (generic)	17
in models (compartimentalized)	0

formula

C₃₀H₄₇O₃

charge

-1

mass

455.35307

reference

chebi:82828

InChIKey

MIJYXULNPSFWEK-GTOFXWBISA-M

InChI

InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/p-1/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1

SMILES

CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:82828 chebi:82828	oleanolate 3beta-hydroxyolean-12-en-28-oate
seed.compound:cpd17382 seedM:cpd17382	Caryophyllin 3-beta-Hydroxyolean-12-en-28-oic acid 3beta-Hydroxyolean-12-en-28-oic acid 3beta-hydroxyolean-12-en-28-oate 3beta-hydroxyolean-12-en-28-oic acid Astrantiagenin C Oleanolic acid caryophyllin oleanic acid oleanolate oleanolic acid oleonolic acid
hmdb:HMDB0002364	Oleanolic acid (3-beta)-3-Hydroxyolean-12-en-28-Oate (3-beta)-3-Hydroxyolean-12-en-28-Oic acid (3.beta.)-3-beta-hydroxy-olean-12-en-28-Oate (3.beta.)-3-beta-hydroxy-olean-12-en-28-Oic acid (3.beta.)-3-hydroxy-olean-12-en-28-Oate (3.beta.)-3-hydroxy-olean-12-en-28-Oic acid (4AS,5S,6as,6BR,8R,8ar,10S,12ar,12BR,14BS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-2,2,6a,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 3-beta-Hydroxyolean-12-en-28-Oate 3-beta-Hydroxyolean-12-en-28-Oic acid 3.beta.-hydroxy-olean-12-en-28-Oate 3.beta.-hydroxy-olean-12-en-28-Oic acid 3b-Hydroxyolean-12-en-28-Oate 3b-Hydroxyolean-12-en-28-Oic acid 3beta-Hydroxy-olean-12-en-28-Oate 3beta-Hydroxy-olean-12-en-28-Oic acid 3beta-Hydroxyolean-12-en-28-Oate 3beta-Hydroxyolean-12-en-28-Oic acid 3beta-hydroxyolean-12-en-28-Oate 3beta-hydroxyolean-12-en-28-Oic acid Astrantiagenin C Caryophyllin Giganteumgenin C Hederins Oleanane triterpenes Oleanate Oleanic acid Oleanol Oleanolate Triterpenes, oleanane Virgaureagenin b oleanolic acid
kegg.compound:C17148 keggC:C17148	Oleanolic acid 3beta-Hydroxyolean-12-en-28-oic acid Astrantiagenin C Caryophyllin Oleanolate
metacyc.compound:CPD-9459 metacycM:CPD-9459	oleanolate 3beta-hydroxyolean-12-en-28-oate 3beta-hydroxyolean-12-en-28-oic acid caryophyllin oleanic acid oleanolic acid oleonolic acid
CHEBI:37659 chebi:37659	oleanolic acid 3beta-Hydroxyolean-12-en-28-oic acid 3beta-hydroxyolean-12-en-28-oic acid Astrantiagenin C Caryophyllin Giganteumgenin C Oleanic acid Virgaureagenin B
lipidmaps:LMPR0106150004 lipidmapsM:LMPR0106150004	oleanolic acid 3beta-hydroxyolean-12-en-28-oic acid Astrantiagenin C Caryophyllin Giganteumgenin C Oleanic acid Virgaureagenin B
hmdb:HMDB02364 keggC:M_C17148 seedM:M_cpd17382	secondary/obsolete/fantasy identifier