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

ChEBI IDCHEBI:139468
ChEBI Name2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside
Stars
ASCII Name2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside
Last Modified16 January 2018
Submittermwilliams
DownloadsMolfile
FormulaC26H28O16
Net Charge0
Average Mass596.494
Monoisotopic Mass596.13773
SMILESO=c1c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
InChIInChI=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
InChIKeyYNMFDPCLPIMRFD-PEXUZNNCSA-N
ChEBI Ontology
Outgoing Relation(s)
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)
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