MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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beta-D-glucosyl crocetin

	Properties	Image
MNX_ID	MNXM2503
reference	chebi:62766
formula	C₂₆H₃₃O₉
global charge	-1
mol weight	489.541
InChIKey	ZVGODNZUEWDIPM-YXRLTKITSA-M
InChI	InChI=1S/C26H34O9/c1-16(11-7-13-18(3)24(31)32)9-5-6-10-17(2)12-8-14-19(4)25(33)35-26-23(30)22(29)21(28)20(15-27)34-26/h5-14,20-23,26-30H,15H2,1-4H3,(H,31,32)/p-1/b6-5+,11-7+,12-8+,16-9+,17-10+,18-13+,19-14+/t20-,21-,22+,23-,26+/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](O)[C@H](O)[C@H]1O

MNX internals

InChI (mnx)	InChI=1/C26H34O9/c1-16(11-7-13-18(3)24(31)32)9-5-6-10-17(2)12-8-14-19(4)25(33)35-26-23(30)22(29)21(28)20(15-27)34-26/h5-14,20-23,26-30H,15H2,1-4H3,(H,31,32)/b6-5+,11-7+,12-8+,16-9+,17-10+,18-13+,19-14+/t20-,21-,22+,23-,26+/m1/s1
SMILES (mnx)	[CH3:1][C:16](=[CH:9]\[CH:5]=[CH:6]\[CH:10]=[C:17]([CH3:2])\[CH:12]=[CH:8]\[CH:14]=[C:19](/[CH3:4])[C:25](=[O:33])[O:35][C@H:26]1[C@H:23]([OH:30])[C@@H:22]([OH:29])[C@H:21]([OH:28])[C@@H:20]([CH2:15][OH:27])[O:34]1)/[CH:11]=[CH:7]/[CH:13]=[C:18](\[CH3:3])[C:24](=[O:31])[OH:32]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:62766 chebi:62766 ZVGODNZUEWDIPM-YXRLTKITSA-M	beta-D-glucosyl crocetin 1-O-[(2E,4E,6E,8E,10E,12E,14E)-15-carboxylato-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenoyl]-beta-D-glucopyranose beta-D-glucosyl crocetin(1-)
kegg.compound:C19867 keggC:C19867 ZVGODNZUEWDIPM-YXRLTKITSA-N	beta-D-Glucosyl crocetin
seed.compound:cpd21108 seedM:cpd21108 ZVGODNZUEWDIPM-YXRLTKITSA-M	beta-D-Glucosyl crocetin beta-D-glucosyl crocetin crocetin monoglucosyl ester
CHEBI:62765 chebi:62765 ZVGODNZUEWDIPM-YXRLTKITSA-N	beta-D-glucosyl crocetin 1-O-[(2E,4E,6E,8E,10E,12E,14E)-15-carboxy-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenoyl]-beta-D-glucopyranose all-trans-crocetin mono(beta-D-glucosyl) ester crocetin beta-D-glucopyranosyl ester crocetin beta-D-glucosyl ester crocetin mono(beta-D-glucosyl) ester trans-crocetin beta-D-glucosyl ester
metacyc.compound:CPD-8663 metacycM:CPD-8663 ZVGODNZUEWDIPM-YXRLTKITSA-M	beta-D-glucosyl crocetin crocetin monoglucosyl ester
keggC:M_C19867 seedM:M_cpd21108	secondary/obsolete/fantasy identifier