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beta-D-gentiobiosyl crocetin

Properties

Image

Occurences in reactions

MNX_ID

MNXM4484

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

formula

C₃₂H₄₃O₁₄

charge

-1

mass

651.26583

reference

chebi:62770

InChIKey

VULLCGFNYWDRHL-YJOFKXFJSA-M

InChI

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

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Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:62770 chebi:62770	beta-D-gentiobiosyl crocetin 1-O-[(2E,4E,6E,8E,10E,12E,14E)-15-carboxylato-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenoyl]-6-O-beta-D-glucopyranosyl-beta-D-glucopyranose all-trans-crocetin mono(beta-D-gentiobiosyl) ester(1-) beta-D-gentiobiosyl crocetin(1-) crocetin mono(beta-gentiobiosyl) ester(1-) trans-crocetin beta-D-gentiobiosyl ester(1-)
kegg.compound:C19869 keggC:C19869	beta-D-Gentiobiosyl crocetin
seed.compound:cpd21110 seedM:cpd21110	beta-D-Gentiobiosyl crocetin beta-D-gentiobiosyl crocetin crocetin monogentiobiosyl ester
CHEBI:62769 chebi:62769	beta-D-gentiobiosyl crocetin 1-O-[(2E,4E,6E,8E,10E,12E,14E)-15-carboxy-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenoyl]-6-O-beta-D-glucopyranosyl-beta-D-glucopyranose all-trans-crocetin mono(beta-D-gentiobiosyl) ester crocetin mono(beta-gentiobiosyl) ester trans-crocetin beta-D-gentiobiosyl ester
metacyc.compound:CPD-8664 metacycM:CPD-8664	beta-D-gentiobiosyl crocetin crocetin monogentiobiosyl ester
keggC:M_C19869 seedM:M_cpd21110	secondary/obsolete/fantasy identifier