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bis(beta-D-glucosyl) crocetin

Properties

Image

Occurences in reactions

MNX_ID

MNXM4491

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₃₂H₄₄O₁₄

charge

mass

652.27311

reference

chebi:62768

InChIKey

QBZWPZHDUZGTLS-IIDMIUPYSA-N

InChI

InChI=1S/C32H44O14/c1-17(11-7-13-19(3)29(41)45-31-27(39)25(37)23(35)21(15-33)43-31)9-5-6-10-18(2)12-8-14-20(4)30(42)46-32-28(40)26(38)24(36)22(16-34)44-32/h5-14,21-28,31-40H,15-16H2,1-4H3/b6-5+,11-7+,12-8+,17-9+,18-10+,19-13+,20-14+/t21-,22-,23-,24-,25+,26+,27-,28-,31+,32+/m1/s1

SMILES

CC(/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:62768 chebi:62768	bis(beta-D-glucosyl) crocetin all-trans-crocetin di(beta-D-glucosyl) ester bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate crocetin di(beta-D-glucopyranosyl) ester dicrocin trans-crocetin di(beta-D-glucosyl) ester
kegg.compound:C19868 keggC:C19868	Bis(beta-D-glucosyl) crocetin Crocetin diglucosyl ester
seed.compound:cpd21109 seedM:cpd21109	Bis(beta-D-glucosyl) crocetin Crocetin diglucosyl ester bis(beta-D-glucosyl) crocetin crocetin diglucosyl ester
metacyc.compound:CPD-8667 metacycM:CPD-8667	bis(beta-D-glucosyl) crocetin crocetin diglucosyl ester
keggC:M_C19868 seedM:M_cpd21109	secondary/obsolete/fantasy identifier