CHEBI:191725 - 7-O-(4-Hydroxycinnamoyl) astragalin

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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 7-O-(4-Hydroxycinnamoyl) astragalin
ChEBI ID CHEBI:191725
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H26O13
Net Charge 0
Average Mass 594.525
Monoisotopic Mass 594.13734
InChI InChI=1S/C30H26O13/c31-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(40-22(35)10-3-14-1-6-16(32)7-2-14)12-20(23)41-28(29)15-4-8-17(33)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+
InChIKey CAHLQXBTMALBQE-XCVCLJGOSA-N
SMILES O1C(C(O)C(O)C(O)C1OC2=C(OC=3C(C2=O)=C(O)C=C(OC(=O)/C=C/C4=CC=C(O)C=C4)C3)C5=CC=C(O)C=C5)CO
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 7-O-(4-Hydroxycinnamoyl) astragalin (CHEBI:191725) is a flavonoids (CHEBI:72544)
7-O-(4-Hydroxycinnamoyl) astragalin (CHEBI:191725) is a glycoside (CHEBI:24400)
IUPAC Name
[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-7-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual Xref Database
HMDB0040473 HMDB
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