CHEBI:139421 - 7-[(6-deoxyhexopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 2-O-(6-deoxyhexopyranosyl)hexopyranoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 7-[(6-deoxyhexopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 2-O-(6-deoxyhexopyranosyl)hexopyranoside
ChEBI ID CHEBI:139421
ChEBI ASCII Name 7-[(6-deoxyhexopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 2-O-(6-deoxyhexopyranosyl)hexopyranoside
Stars This entity has been manually annotated by a third party.
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Formula C33H40O19
Net Charge 0
Average Mass 740.661
Monoisotopic Mass 740.21638
InChI InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(46-10)48-14-7-15(36)18-16(8-14)49-28(12-3-5-13(35)6-4-12)29(22(18)40)51-33-30(25(43)21(39)17(9-34)50-33)52-32-27(45)24(42)20(38)11(2)47-32/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3
InChIKey DDELFAUOHDSZJL-UHFFFAOYSA-N
SMILES C1(C(C(O)C(O)C(O1)OC2C(C(C(OC2OC=3C(C4=C(C=C(C=C4OC3C5=CC=C(C=C5)O)OC6C(C(C(C(O6)C)O)O)O)O)=O)CO)O)O)O)C
ChEBI Ontology
Outgoing 7-[(6-deoxyhexopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 2-O-(6-deoxyhexopyranosyl)hexopyranoside (CHEBI:139421) is a flavonoids (CHEBI:72544)
7-[(6-deoxyhexopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 2-O-(6-deoxyhexopyranosyl)hexopyranoside (CHEBI:139421) is a glycoside (CHEBI:24400)
Manual Xrefs Databases
22370051 ChemSpider
HMDB0040969 HMDB
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Last Modified
15 January 2018