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CHEBI:220039 - Ambruticin
| Formula | C28H42O6 |
| Net Charge | 0 |
| Average Mass | 474.638 |
| Monoisotopic Mass | 474.29814 |
| SMILES | CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@H]2[C@@H](C)[C@@H]2/C=C/[C@@H]2O[C@H](CC(=O)O)C[C@H](O)[C@H]2O)CC=C1C |
| InChI | InChI=1S/C28H42O6/c1-6-24-17(3)8-11-25(34-24)18(4)13-16(2)7-9-21-19(5)22(21)10-12-26-28(32)23(29)14-20(33-26)15-27(30)31/h7-10,12-13,16,19-26,28-29,32H,6,11,14-15H2,1-5H3,(H,30,31)/b9-7+,12-10+,18-13+/t16-,19-,20+,21+,22+,23+,24-,25-,26+,28-/m1/s1 |
| InChIKey | TYIXBSJXUFTELJ-LQJOTGEPSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Polyangium (ncbitaxon:55) | - | PubMed (407203) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Ambruticin (CHEBI:220039) is a C-glycosyl compound (CHEBI:20857) |
| IUPAC Name |
|---|
| 2-[(2S,4S,5R,6S)-6-[(E)-2-[(1S,2S,3R)-2-[(1E,3R,4E)-5-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhexa-1,4-dienyl]-3-methylcyclopropyl]ethenyl]-4,5-dihydroxyoxan-2-yl]acetic acid |