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protobassic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM130036

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

formula

C₃₀H₄₈O₆

charge

mass

504.34509

reference

chebi:73086

InChIKey

IDQVFXZQPGAVAM-YPRSBIJBSA-N

InChI

InChI=1S/C30H48O6/c1-25(2)9-11-30(24(35)36)12-10-28(5)17(18(30)13-25)7-8-21-26(3)14-20(33)23(34)27(4,16-31)22(26)19(32)15-29(21,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19+,20-,21+,22+,23-,26+,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)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5[C@H](O)C[C@]43C)[C@@H]2C1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:73086 chebi:73086	protobassic acid (2beta,3beta,6beta)-2,3,6,23-tetrahydroxyolean-12-en-28-oic acid
lipidmaps:LMPR0106150035 lipidmapsM:LMPR0106150035	Protobassic acid (2beta,3beta,6beta)-2,3,6,23-tetrahydroxyolean-12-en-28-oic acid
hmdb:HMDB0034500	Protobassic acid 8,10,11-Trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate 8,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid 8,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid Protobassate
hmdb:HMDB34500	secondary/obsolete/fantasy identifier