CHEBI:175691 - Furocoumarinic acid glucoside

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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 Furocoumarinic acid glucoside
ChEBI ID CHEBI:175691
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H18O9
Net Charge 0
Average Mass 366.322
Monoisotopic Mass 366.09508
InChI InChI=1S/C17H18O9/c18-7-12-14(21)15(22)16(23)17(26-12)25-11-6-10-9(3-4-24-10)5-8(11)1-2-13(19)20/h1-6,12,14-18,21-23H,7H2,(H,19,20)/b2-1+
InChIKey XRLPSAYLYDMYGX-OWOJBTEDSA-N
SMILES O1C(C(O)C(O)C(O)C1OC2=C(C=C3C(OC=C3)=C2)/C=C/C(O)=O)CO
ChEBI Ontology
Outgoing Furocoumarinic acid glucoside (CHEBI:175691) is a glycoside (CHEBI:24400)
IUPAC Name
(E)-3-[6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzouran-5-yl]prop-2-enoic acid
Manual Xref Database
HMDB0029601 HMDB
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