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CHEBI:183960 - 11-nor-Delta(9)-tetrahydrocannabinol-9-carboxylic acid
| Formula | C21H28O4 |
| Net Charge | 0 |
| Average Mass | 344.451 |
| Monoisotopic Mass | 344.19876 |
| SMILES | [H][C@]12C=C(C(=O)O)CC[C@]1([H])C(C)(C)Oc1cc(CCCCC)cc(O)c12 |
| 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 |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Nippostrongylus brasiliensis (ncbitaxon:27835) | Whole Organism (NCIT:C13413) | MetaboLights (MTBLS3486) | |
| Mus musculus (ncbitaxon:10090) | small intestine (BTO:0000651) | MetaboLights (MTBLS3486) | Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Xrefs | Databases |
|---|---|
| 29367381 | ChemSpider |