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CHEBI:208056 - L681512-4
| Formula | C48H82O12S |
| Net Charge | 0 |
| Average Mass | 883.239 |
| Monoisotopic Mass | 882.55270 |
| SMILES | CC(=O)O[C@H]1[C@H](O)C2=C(CC[C@H]3C(C)(C)[C@@H](OS(=O)(=O)O)[C@H](OC(=O)CCCCCCCCCCCCCCCO)C[C@]23C)C2CC[C@H](C(C)CCC3(C(C)(C)O)CO3)[C@]21C |
| InChI | InChI=1S/C48H82O12S/c1-32(27-28-48(31-57-48)45(5,6)53)35-24-25-36-34-23-26-38-44(3,4)42(60-61(54,55)56)37(30-46(38,7)40(34)41(52)43(47(35,36)8)58-33(2)50)59-39(51)22-20-18-16-14-12-10-9-11-13-15-17-19-21-29-49/h32,35-38,41-43,49,52-53H,9-31H2,1-8H3,(H,54,55,56)/t32?,35-,36?,37-,38+,41-,42+,43+,46+,47-,48?/m1/s1 |
| InChIKey | NUOVIAPJOSFRAJ-KBXBHLSFSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Fusarium (ncbitaxon:5506) | - | PubMed (10656577) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| L681512-4 (CHEBI:208056) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| [(2R,3R,5R,10S,11R,12R,13R,17R)-12-acetyloxy-11-hydroxy-17-[4-[2-(2-hydroxypropan-2-yl)oxiran-2-yl]butan-2-yl]-4,4,10,13-tetramethyl-3-sulooxy-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-yl] 16-hydroxyhexadecanoate |
| Manual Xrefs | Databases |
|---|---|
| 8571334 | ChemSpider |