EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C30H40O6 |
| Net Charge | 0 |
| Average Mass | 496.644 |
| Monoisotopic Mass | 496.28249 |
| SMILES | CC1=C2C[C@@](C)(CO)C[C@]2(O)C(=O)[C@@]2(CCc3c(CCO)c(C)c4c(c3O2)C[C@](C)(CO)C4)C12CC2 |
| InChI | InChI=1S/C30H40O6/c1-17-19(6-10-31)20-5-7-30(36-24(20)22-12-26(3,15-32)11-21(17)22)25(34)29(35)14-27(4,16-33)13-23(29)18(2)28(30)8-9-28/h31-33,35H,5-16H2,1-4H3/t26-,27-,29-,30+/m1/s1 |
| InChIKey | NMEHSFIENJDJIR-OQGMSKNBSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Bovista (ncbitaxon:90676) | - | DOI (10.1016/s0040-4020(02)00943-2) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Bovistol (CHEBI:204027) is a sesquiterpenoid (CHEBI:26658) |
| Manual Xrefs | Databases |
|---|---|
| 8611366 | ChemSpider |