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CHEBI:183898 - Benzeneheptanol, 3-hydroxy-4-[(1r,3s)-3-hydroxycyclohexyl]-.eta.,.eta.-dimethyl-, rel-
| Formula | C21H34O3 |
| Net Charge | 0 |
| Average Mass | 334.500 |
| Monoisotopic Mass | 334.25079 |
| SMILES | [H][C@@]1(c2ccc(C(C)(C)CCCCCCO)cc2O)CCC[C@H](O)C1 |
| InChI | InChI=1S/C21H34O3/c1-21(2,12-5-3-4-6-13-22)17-10-11-19(20(24)15-17)16-8-7-9-18(23)14-16/h10-11,15-16,18,22-24H,3-9,12-14H2,1-2H3/t16-,18+/m1/s1 |
| InChIKey | OVDBRQAUSFGKDW-AEFFLSMTSA-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) |
| Benzeneheptanol, 3-hydroxy-4-[(1r,3s)-3-hydroxycyclohexyl]-.eta.,.eta.-dimethyl-, rel- (CHEBI:183898) is a alkylbenzene (CHEBI:38976) |
| Benzeneheptanol, 3-hydroxy-4-[(1r,3s)-3-hydroxycyclohexyl]-.eta.,.eta.-dimethyl-, rel- (CHEBI:183898) is a ring assembly (CHEBI:36820) |
| IUPAC Name |
|---|
| 2-[(1R,3S)-3-hydroxycyclohexyl]-5-(8-hydroxy-2-methyloctan-2-yl)phenol |