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CHEBI:197067 - Arenobufagin
| Formula | C24H32O6 |
| Net Charge | 0 |
| Average Mass | 416.514 |
| Monoisotopic Mass | 416.21989 |
| SMILES | [H][C@]12CC[C@@]3([H])[C@@]4(O)CC[C@H](c5ccc(=O)oc5)[C@@]4(C)C(=O)[C@@H](O)[C@]3([H])[C@@]1(C)CC[C@H](O)C2 |
| InChI | InChI=1S/C24H32O6/c1-22-9-7-15(25)11-14(22)4-5-17-19(22)20(27)21(28)23(2)16(8-10-24(17,23)29)13-3-6-18(26)30-12-13/h3,6,12,14-17,19-20,25,27,29H,4-5,7-11H2,1-2H3/t14-,15+,16-,17-,19-,20+,22+,23+,24+/m1/s1 |
| InChIKey | JGDCRWYOMWSTFC-AZGSIFHYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Cannabis sativa (ncbitaxon:3483) | inflorescence (BTO:0000628) | MetaboLights (MTBLS6032) | Strain: Cannabis sativa var. DMG265 |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Arenobufagin (CHEBI:197067) has functional parent bufanolide (CHEBI:22934) |
| Arenobufagin (CHEBI:197067) is a steroid lactone (CHEBI:26766) |
| IUPAC Name |
|---|
| 5-[(3S,5R,8R,9S,10S,11S,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one |