CHEBI:191682 - Isovitexin 2''-O-[4-hydroxy-(E)-cinnamoyl-(->6)-beta-D-glucopyranosyl] 4'-O-beta-D-glucopyranoside

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ChEBI Name Isovitexin 2''-O-[4-hydroxy-(E)-cinnamoyl-(->6)-beta-D-glucopyranosyl] 4'-O-beta-D-glucopyranoside
ChEBI ID CHEBI:191682
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H46O22
Net Charge 0
Average Mass 902.808
Monoisotopic Mass 902.24807
InChI InChI=1S/C42H46O22/c43-13-24-31(50)36(55)40(64-42-38(57)35(54)32(51)26(63-42)15-58-27(48)10-3-16-1-6-18(45)7-2-16)39(61-24)29-21(47)12-23-28(33(29)52)20(46)11-22(60-23)17-4-8-19(9-5-17)59-41-37(56)34(53)30(49)25(14-44)62-41/h1-12,24-26,30-32,34-45,47,49-57H,13-15H2/b10-3+
InChIKey QYVCMCHTBHFWCZ-XCVCLJGOSA-N
SMILES O(C1C(O)C(O)C(OC1C2=C(O)C3=C(OC(=CC3=O)C4=CC=C(OC5OC(C(O)C(O)C5O)CO)C=C4)C=C2O)CO)C6OC(C(O)C(O)C6O)COC(=O)/C=C/C7=CC=C(O)C=C7
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 2''-O-[4-hydroxy-(E)-cinnamoyl-(->6)-beta-D-glucopyranosyl] 4'-O-beta-D-glucopyranoside (CHEBI:191682) is a flavonoids (CHEBI:72544)
Isovitexin 2''-O-[4-hydroxy-(E)-cinnamoyl-(->6)-beta-D-glucopyranosyl] 4'-O-beta-D-glucopyranoside (CHEBI:191682) is a glycoside (CHEBI:24400)
IUPAC Name
[6-[2-[5,7-dihydroxy-4-oxo-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual Xref Database
HMDB0038043 HMDB
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