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CHEBI:9227 - Spicatin
| Formula | C27H32O10 |
| Net Charge | 0 |
| Average Mass | 516.543 |
| Monoisotopic Mass | 516.19955 |
| SMILES | [H][C@]12OC(=O)C(=C)[C@]1([H])[C@H](OC(=O)/C(=C/C)COC(=O)/C(=C/C)CO)C[C@]1(CO1)[C@]1([H])[C@H](OC(C)=O)C=C(C)[C@]21[H] |
| InChI | InChI=1S/C27H32O10/c1-6-16(10-28)25(31)33-11-17(7-2)26(32)36-19-9-27(12-34-27)22-18(35-15(5)29)8-13(3)20(22)23-21(19)14(4)24(30)37-23/h6-8,18-23,28H,4,9-12H2,1-3,5H3/b16-6+,17-7+/t18-,19-,20+,21-,22-,23-,27+/m1/s1 |
| InChIKey | KECRQSRAHLUNQU-ILTWLPKVSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Spicatin (CHEBI:9227) is a sesquiterpene lactone (CHEBI:37667) |
| Synonym | Source |
|---|---|
| Spicatin | KEGG COMPOUND |