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CHEBI:187864 - Anabsinthin
| Formula | C30H40O6 |
| Net Charge | 0 |
| Average Mass | 496.644 |
| Monoisotopic Mass | 496.28249 |
| SMILES | [H][C@@]12C[C@]3(C)O[C@@]4(C)CC[C@@]5([H])[C@H](C)C(=O)O[C@]5([H])[C@]3([C@@]3([H])C(C)=C5[C@@]([H])([C@@]13[H])[C@@](C)(O)CC[C@@]1([H])[C@H](C)C(=O)O[C@]51[H])[C@@]24[H] |
| InChI | InChI=1S/C30H40O6/c1-12-15-7-9-27(4,33)21-18(22(15)34-25(12)31)14(3)20-19(21)17-11-29(6)30(20)23(17)28(5,36-29)10-8-16-13(2)26(32)35-24(16)30/h12-13,15-17,19-24,33H,7-11H2,1-6H3/t12-,13-,15-,16-,17+,19-,20-,21-,22-,23-,24-,27-,28-,29-,30-/m0/s1 |
| InChIKey | XDKZYFZYOVAAKJ-VXVJPEHISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS3750) | Strain: C57BL/6 Mouse [NCIT:C14424] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Anabsinthin (CHEBI:187864) is a sesterterpenoid (CHEBI:26660) |
| IUPAC Name |
|---|
| (1S,2R,5S,8S,9S,12S,13R,14S,15R,17S,19S,22S,23S,26S,27R)-12-hydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.01,17.02,14.04,13.05,9.019,27.022,26]heptacos-3-ene-7,24-dione |