CHEBI:176886 - cis-3-O-feruloylquinic acid

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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 cis-3-O-feruloylquinic acid
ChEBI ID CHEBI:176886
ChEBI ASCII Name cis-3-O-feruloylquinic acid
Stars This entity has been manually annotated by a third party.
Submitter Anonymous
Supplier Information
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Formula C17H20O9
Net Charge 0
Average Mass 368.338
Monoisotopic Mass 368.11073
InChI InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3-/t11-,13-,15-,17+/m1/s1
InChIKey RAGZUCNPTLULOL-VPGMDQGHSA-N
SMILES COC1=CC(\C=C/C(=O)OC2CC(O)(CC(O)C2O)C(O)=O)=CC=C1O
ChEBI Ontology
Outgoing cis-3-O-feruloylquinic acid (CHEBI:176886) is a organic molecular entity (CHEBI:50860)
Last Modified
14 July 2022