Terminology Service for NFDI4Health
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4-O-E-caffeoylquinic acid methyl ester

Go to external page http://purl.obolibrary.org/obo/CHEBI_145092

Term info

Label

4-O-E-caffeoylquinic acid methyl ester

database cross reference
Subsets

2_STAR

charge

0

formula

C17H20O9

has obo namespace

chebi_ontology

id

CHEBI:145092

inchi

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

inchikey

SMFKCIHIAHWGGL-AWOKGZDASA-N

mass

368.338

monoisotopicmass

368.11073

smiles

C1=CC(=C(C=C1/C=C/C(O[C@@H]2[C@H](O)C[C@](C[C@H]2O)(C(OC)=O)O)=O)O)O