EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:215008 - Sch 601324
| Formula | C32H54O9S |
| Net Charge | 0 |
| Average Mass | 614.842 |
| Monoisotopic Mass | 614.34885 |
| SMILES | CC(=O)O[C@H]1CC[C@]2(C)C3=C(CCC2C1(C)C)[C@]1(C)CC[C@](O)([C@H](C)CCC(O)C(C)(O)COS(=O)(=O)O)[C@@]1(C)CC3 |
| InChI | InChI=1S/C32H54O9S/c1-20(9-12-25(34)30(7,35)19-40-42(37,38)39)32(36)18-17-29(6)23-10-11-24-27(3,4)26(41-21(2)33)14-15-28(24,5)22(23)13-16-31(29,32)8/h20,24-26,34-36H,9-19H2,1-8H3,(H,37,38,39)/t20-,24?,25?,26+,28-,29+,30?,31+,32+/m1/s1 |
| InChIKey | YRUAGJPMNPEUMY-MEGYRDQLSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Chrysosporiumspecies (ncbitaxon:40412) | - | PubMed (12817816) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Sch 601324 (CHEBI:215008) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| [(3S,10S,13S,14S,17S)-17-[(2R)-5,6-dihydroxy-6-methyl-7-sulooxyheptan-2-yl]-17-hydroxy-4,4,10,13,14-pentamethyl-1,2,3,5,6,7,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-yl] acetate |
| Manual Xrefs | Databases |
|---|---|
| 8027661 | ChemSpider |