EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C18H20O6 |
| Net Charge | 0 |
| Average Mass | 332.352 |
| Monoisotopic Mass | 332.12599 |
| SMILES | CCC[C@H]1CC2=C(C[C@@H](CC)CC3=C1C(=O)OC3=O)C(=O)OC2=O |
| InChI | InChI=1S/C18H20O6/c1-3-5-10-8-12-11(15(19)23-16(12)20)6-9(4-2)7-13-14(10)18(22)24-17(13)21/h9-10H,3-8H2,1-2H3/t9-,10+/m1/s1 |
| InChIKey | NRDWUPPIGBHWAS-ZJUUUORDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-2963 (CHEBI:92764) has functional parent tetracarboxylic acid (CHEBI:35742) |
| LSM-2963 (CHEBI:92764) is a organooxygen compound (CHEBI:36963) |
| Manual Xrefs | Databases |
|---|---|
| LSM-2963 | LINCS |