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CHEBI:193172 - delta-CEHC

ChEBI IDCHEBI:193172
ChEBI Namedelta-CEHC
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O4
Net Charge0
Average Mass250.294
Monoisotopic Mass250.12051
SMILESCc1cc(O)cc2c1OC(C)(CCC(=O)O)CC2
InChIInChI=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)
InChIKeyBNVXCCQXUZCRSR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
delta-CEHC (CHEBI:193172) is a 1-benzopyran (CHEBI:38443)
Incoming Relation(s)
delta-CEHC glucuronide (CHEBI:233490) has functional parent delta-CEHC (CHEBI:193172)
delta-CEHC sulfate (CHEBI:233491) has functional parent delta-CEHC (CHEBI:193172)
IUPAC Name 
3-(6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl)propanoic acid
Manual XrefsDatabases
9710906ChemSpider