Terminology Service for NFDI4Health
3-O-caffeoyl-2-(2-propyl)-2-hydroxybutanedioic acid
Go to external page
http://purl.obolibrary.org/obo/CHEBI_145097
Term info
Label
3-O-caffeoyl-2-(2-propyl)-2-hydroxybutanedioic acid
Subsets
2_STAR
charge
0
formula
C16H18O9
has obo namespace
chebi_ontology
id
CHEBI:145097
inchi
InChI=1S/C16H18O9/c1-8(2)16(24,15(22)23)13(14(20)21)25-12(19)6-4-9-3-5-10(17)11(18)7-9/h3-8,13,17-18,24H,1-2H3,(H,20,21)(H,22,23)/b6-4+
inchikey
NMEUMTFTGDHBGD-GQCTYLIASA-N
mass
354.311
monoisotopicmass
354.09508
smiles
C1=CC(=C(C=C1/C=C/C(OC(C(C(C)C)(C(=O)O)O)C(O)=O)=O)O)O