EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C30H48O3 |
| Net Charge | 0 |
| Average Mass | 456.711 |
| Monoisotopic Mass | 456.36035 |
| SMILES | C[C@H]([C@@H]1C[C@H](O)C(C)(C)O1)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C |
| InChI | InChI=1S/C30H48O3/c1-18(22-17-25(32)27(4,5)33-22)19-11-15-30(8)21-9-10-23-26(2,3)24(31)13-14-28(23,6)20(21)12-16-29(19,30)7/h9,12,18-19,22-25,31-32H,10-11,13-17H2,1-8H3/t18-,19+,22-,23?,24-,25-,28+,29+,30-/m0/s1 |
| InChIKey | ZSJNLSFWYLWTHK-YREZXSGFSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ganoderma (ncbitaxon:5314) | - | PubMed (24559087) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Ganoderchochlearin B (CHEBI:224143) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (3S,5S)-5-[(1S)-1-[(3S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-2,2-dimethyloxolan-3-ol |
| Manual Xrefs | Databases |
|---|---|
| 78441218 | ChemSpider |