EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C25H38O5 |
| Net Charge | 0 |
| Average Mass | 418.574 |
| Monoisotopic Mass | 418.27192 |
| SMILES | CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]21 |
| InChI | InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20+,21-,23+/m0/s1 |
| InChIKey | RYMZZMVNJRMUDD-HFFZACBOSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(1S,3R,7S,8R,8aS)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate (CHEBI:94560) is a δ-lactone (CHEBI:18946) |
| Manual Xrefs | Databases |
|---|---|
| LSM-5417 | LINCS |