CHEBI:139468 - 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside

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ChEBI Name 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside
ChEBI ID CHEBI:139468
ChEBI ASCII Name 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside
Stars This entity has been manually annotated by a third party.
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Formula C26H28O16
Net Charge 0
Average Mass 596.492
Monoisotopic Mass 596.13773
InChI InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13-,15-,17+,18-,20+,21-,22-,25+,26+/m1/s1
InChIKey YNMFDPCLPIMRFD-PEXUZNNCSA-N
SMILES OC1=C(C=C(C2=C(C(C3=C(C=C(C=C3O2)O)O)=O)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)C=C1)O
ChEBI Ontology
Outgoing 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside (CHEBI:139468) is a flavonoids (CHEBI:72544)
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside (CHEBI:139468) is a glycoside (CHEBI:24400)
Manual Xref Database
22913281 ChemSpider
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Last Modified
16 January 2018