delta-CEHC (CHEBI:193172)

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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	delta-CEHC

ChEBI ID	CHEBI:193172

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H18O4

Net Charge

Average Mass

250.294

Monoisotopic Mass

250.12051

InChI

InChI=1S/C14H18O4/c1-9-7-11(15)8-10-3-5-14(2,18-13(9)10)6-4-12(16)17/h7-8,15H,3-6H2,1-2H3,(H,16,17)

InChIKey

BNVXCCQXUZCRSR-UHFFFAOYSA-N

SMILES

O1C(CCC2=C1C(=CC(O)=C2)C)(CCC(O)=O)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in feces (BTO:0000440). See: MetaboLights Study

ChEBI Ontology
Outgoing	delta-CEHC (CHEBI:193172) is a 1-benzopyran (CHEBI:38443)

IUPAC Name

3-(6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl)propanoic acid