CHEBI:190060 - Picraquassioside A

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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 Picraquassioside A
ChEBI ID CHEBI:190060
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H22O10
Net Charge 0
Average Mass 398.364
Monoisotopic Mass 398.12130
InChI InChI=1S/C18H22O10/c1-25-17-8(2-3-13(20)21)11(6-10-9(17)4-5-26-10)27-18-16(24)15(23)14(22)12(7-19)28-18/h4-6,12,14-16,18-19,22-24H,2-3,7H2,1H3,(H,20,21)
InChIKey FQTKOEVCGAVVIG-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC2=C(CCC(O)=O)C(OC)=C3C(OC=C3)=C2)CO
Metabolite of Species Details
Brassica napus (NCBI:txid3708) Found in flower (BTO:0000469). See: MetaboLights Study
ChEBI Ontology
Outgoing Picraquassioside A (CHEBI:190060) is a glycoside (CHEBI:24400)
IUPAC Name
3-[4-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzouran-5-yl]propanoic acid
Manual Xref Database
HMDB0041285 HMDB
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