Terminology Service for NFDI4Health
3-O-caffeoyl-2-(2-butyl)-2-hydroxybutanedioic acid
Go to external page
http://purl.obolibrary.org/obo/CHEBI_145098
Term info
Label
3-O-caffeoyl-2-(2-butyl)-2-hydroxybutanedioic acid
Subsets
2_STAR
charge
0
formula
C17H20O9
has obo namespace
chebi_ontology
id
CHEBI:145098
inchi
InChI=1S/C17H20O9/c1-3-9(2)17(25,16(23)24)14(15(21)22)26-13(20)7-5-10-4-6-11(18)12(19)8-10/h4-9,14,18-19,25H,3H2,1-2H3,(H,21,22)(H,23,24)/b7-5+
inchikey
PJYWQGQCNUTSKZ-FNORWQNLSA-N
mass
368.338
monoisotopicmass
368.11073
smiles
C1=CC(=C(C=C1/C=C/C(OC(C(C(CC)C)(C(=O)O)O)C(O)=O)=O)O)O