CHEBI:191641 - Isovitexin 4',7-diglucoside

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Isovitexin 4',7-diglucoside
ChEBI ID CHEBI:191641
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H40O20
Net Charge 0
Average Mass 756.663
Monoisotopic Mass 756.21129
InChI InChI=1S/C33H40O20/c34-7-16-21(38)25(42)28(45)31(50-16)20-15(51-33-30(47)27(44)23(40)18(9-36)53-33)6-14-19(24(20)41)12(37)5-13(49-14)10-1-3-11(4-2-10)48-32-29(46)26(43)22(39)17(8-35)52-32/h1-6,16-18,21-23,25-36,38-47H,7-9H2
InChIKey LJHWZNFWSHGYJS-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1CO)C2=C(OC3OC(C(O)C(O)C3O)CO)C=C4OC(=CC(=O)C4=C2O)C5=CC=C(OC6OC(C(O)C(O)C6O)CO)C=C5
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
ChEBI Ontology
Outgoing Isovitexin 4',7-diglucoside (CHEBI:191641) is a flavonoids (CHEBI:72544)
Isovitexin 4',7-diglucoside (CHEBI:191641) is a glycoside (CHEBI:24400)
IUPAC Name
5-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
Manual Xref Database
HMDB0035004 HMDB
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