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brassicasterol 3-beta-D-glucoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM14611

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₃₄H₅₆O₆

charge

mass

560.40769

reference

chebi:145041

InChIKey

ILUZPRRJJSFYEH-OBNQGTFASA-N

InChI

InChI=1S/C34H56O6/c1-19(2)20(3)7-8-21(4)25-11-12-26-24-10-9-22-17-23(13-15-33(22,5)27(24)14-16-34(25,26)6)39-32-31(38)30(37)29(36)28(18-35)40-32/h7-9,19-21,23-32,35-38H,10-18H2,1-6H3/b8-7+/t20-,21+,23-,24-,25+,26-,27-,28+,29+,30-,31+,32+,33-,34+/m0/s1

SMILES

CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:145041 chebi:145041	brassicasterol 3-beta-D-glucoside
sabiork.compound:25253 sabiorkM:25253	Brassicasterol 3beta-D-glucoside
metacyc.compound:CPD-13084 metacycM:CPD-13084	brassicasterol 3-O-beta-D-glucoside 3-O-beta-D-brassicasterol-glucoside 3-O-beta-D-glucosyl-brassicasterol beta-D-glucopyranoside, (3beta,22E)-ergosta-5,22-dien-3-yl