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CHEBI:171675 - Tanabalin
| Formula | C22H28O5 |
| Net Charge | 0 |
| Average Mass | 372.461 |
| Monoisotopic Mass | 372.19367 |
| SMILES | [H][C@]12CCC=C3C(=O)OC[C@]31CC[C@@H](C)[C@]2(C)C[C@H](OC(C)=O)c1ccoc1 |
| InChI | InChI=1S/C22H28O5/c1-14-7-9-22-13-26-20(24)17(22)5-4-6-19(22)21(14,3)11-18(27-15(2)23)16-8-10-25-12-16/h5,8,10,12,14,18-19H,4,6-7,9,11,13H2,1-3H3/t14-,18+,19-,21+,22-/m1/s1 |
| InChIKey | DZAYTXGDCMMRGZ-MHMMHEKKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| Pooled sample (NCIT:C45910) | MetaboLights (MTBLS2128) | ||
| blood plasma (BTO:0000131) | MetaboLights (MTBLS2128) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Tanabalin (CHEBI:171675) is a diterpene lactone (CHEBI:49193) |
| IUPAC Name |
|---|
| [(1S)-2-[(6aR,7S,8R,10aS)-7,8-dimethyl-3-oxo-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzouran-7-yl]-1-(uran-3-yl)ethyl] acetate |