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

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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 Nor-9-carboxy-delta9-THC
ChEBI ID CHEBI:167808
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H28O4
Net Charge 0
Average Mass 344.451
Monoisotopic Mass 344.19876
InChI InChI=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)
InChIKey YOVRGSHRZRJTLZ-UHFFFAOYSA-N
SMILES O1C(C2C(C=3C1=CC(=CC3O)CCCCC)C=C(CC2)C(O)=O)(C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
97019 ChemSpider
HMDB0062770 HMDB
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Registry Number Type Source
64280-14-4 CAS Registry Number ChemIDplus