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3-O-caffeoylquinic acid methyl ester

Go to external page http://purl.obolibrary.org/obo/CHEBI_145094

Term info

Label

3-O-caffeoylquinic acid methyl ester

Subsets

2_STAR

charge

0

formula

C17H20O9

has obo namespace

chebi_ontology

id

CHEBI:145094

inchi

InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1

inchikey

MZNIJRAPCCELQX-AWOKGZDASA-N

mass

368.338

monoisotopicmass

368.11073

smiles

[C@@]1(C(OC)=O)(C[C@H]([C@H](O)[C@@H](C1)O)OC(=O)\C=C\C2=CC(=C(C=C2)O)O)O

Term relations

Subclass of: