CHEBI:183960 - 11-nor-Delta(9)-tetrahydrocannabinol-9-carboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 11-nor-Delta(9)-tetrahydrocannabinol-9-carboxylic acid
ChEBI ID CHEBI:183960
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)/t15-,16-/m0/s1
InChIKey YOVRGSHRZRJTLZ-HOTGVXAUSA-N
SMILES O1C([C@@]2([C@@](C=3C1=CC(=CC3O)CCCCC)(C=C(CC2)C(O)=O)[H])[H])(C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in small intestine (BTO:0000651). of strain C57BL/6 Mouse [THESAURUS.OWL#C14424] See: MetaboLights Study
Nippostrongylus brasiliensis (NCBI:txid27835) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing 11-nor-Delta(9)-tetrahydrocannabinol-9-carboxylic acid (CHEBI:183960) is a 1-benzopyran (CHEBI:38443)
IUPAC Name
(6aS,10aS)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid
Manual Xref Database
29367381 ChemSpider
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