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CHEBI:199154 - Ascosetin
| Formula | C26H37NO5 |
| Net Charge | 0 |
| Average Mass | 443.584 |
| Monoisotopic Mass | 443.26717 |
| SMILES | CC(=CC(=O)O)[C@@H]1C(C)=C[C@@H]2C[C@H](C)CC[C@H]2[C@]1(C)C(O)=C1C(=O)NC(CC(C)C)C1=O |
| InChI | InChI=1S/C26H37NO5/c1-13(2)9-19-23(30)21(25(32)27-19)24(31)26(6)18-8-7-14(3)10-17(18)11-15(4)22(26)16(5)12-20(28)29/h11-14,17-19,22,31H,7-10H2,1-6H3,(H,27,32)(H,28,29)/t14-,17+,18-,19?,22+,26+/m1/s1 |
| InChIKey | AAOOVFKOTYJAEJ-WYHHKWTJSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Ascosetin (CHEBI:199154) is a sesquiterpenoid (CHEBI:26658) |
| IUPAC Names |
|---|
| 3-[(1S,2S,4aS,6R,8aR)-1-[hydroxy-[5-(2-methylpropyl)-2,4-dioxopyrrolidin-3-ylidene]methyl]-1,3,6-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]but-2-enoic acid |
| (E)-3-[(1R,2R,4aR,6S,8aS)-1-[(E)-hydroxy-[5-(2-methylpropyl)-2,4-dioxopyrrolidin-3-ylidene]methyl]-1,3,6-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]but-2-enoic acid |