CHEBI:62768 - bis(β-D-glucosyl) crocetin

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ChEBI Name bis(β-D-glucosyl) crocetin ChEBI ID CHEBI:62768 ChEBI ASCII Name bis(beta-D-glucosyl) crocetin Definition A diester resulting from the formal condensation of each of the carboxylic acid groups of crocetin with an anomeric hydroxy group of β-D-glucopyranose. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C32H44O14 Net Charge 0 Average Mass 652.68340 Monoisotopic Mass 652.27311 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 InChIKey QBZWPZHDUZGTLS-IIDMIUPYSA-N 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 ChEBI Ontology Outgoing bis(β-D-glucosyl) crocetin (CHEBI:62768) has functional parent β-D-glucose (CHEBI:15903) bis(β-D-glucosyl) crocetin (CHEBI:62768) has functional parent crocetin (CHEBI:3918) bis(β-D-glucosyl) crocetin (CHEBI:62768) is a β-D-glucoside (CHEBI:22798) bis(β-D-glucosyl) crocetin (CHEBI:62768) is a diester (CHEBI:51307) IUPAC Name 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 Synonyms Sources all-trans-crocetin di(β-D-glucosyl) ester ChEBI bis(β-D-glucosyl) crocetin UniProt crocetin di(β-D-glucopyranosyl) ester ChEBI dicrocin HMDB trans-crocetin di(β-D-glucosyl) ester ChEBI Manual Xrefs Databases CPD-8667 MetaCyc HMDB0002353 HMDB View more database links Registry Number Type Source 7788081 Reaxys Registry Number Reaxys Citation Type Source 15605174 PubMed citation Europe PMC Last Modified 15 September 2011

General Comment 2011-08-19 See also Côté, F., Cormier, F., Dufresne, C. and Willemot, C. Properties of aglucosyltransferase involved in crocin synthesis. Plant Sci. 153 (2000)55—63.