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CHEBI:167808 - Nor-9-carboxy-delta9-THC

ChEBI IDCHEBI:167808
ChEBI NameNor-9-carboxy-delta9-THC
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O4
Net Charge0
Average Mass344.451
Monoisotopic Mass344.19876
SMILESCCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C(=O)O)=CC21
InChIInChI=1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)
InChIKeyYOVRGSHRZRJTLZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2542)
ChEBI Ontology
Outgoing Relation(s)
Nor-9-carboxy-delta9-THC (CHEBI:167808) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid
Manual XrefsDatabases
97019ChemSpider
HMDB0062770HMDB
Registry NumbersSources
CAS:64280-14-4ChemIDplus