EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C51H94O11 |
| Net Charge | 0 |
| Average Mass | 883.302 |
| Monoisotopic Mass | 882.67961 |
| SMILES | CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| InChI | InChI=1S/C51H94O11/c1-38(2)19-13-26-47(6,56)28-15-30-49(8,58)32-17-34-51(10,60)35-18-33-50(9,59)31-16-29-48(7,57)27-14-24-40(4)22-11-20-39(3)21-12-23-41(5)25-36-61-46-45(55)44(54)43(53)42(37-52)62-46/h19,21-22,25,42-46,52-60H,11-18,20,23-24,26-37H2,1-10H3/b39-21+,40-22+,41-25+/t42-,43-,44+,45-,46-,47?,48?,49?,50?,51?/m1/s1 |
| InChIKey | KBDCOGFOUWVOPM-ZTFZENBHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Acremoniumspecies (ncbitaxon:2046025) | - | PubMed (9510903) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| SCH 60063 (CHEBI:200663) is a polyterpenoid (CHEBI:26207) |
| IUPAC Name |
|---|
| (26E,30E,34E)-2,6,10,14,18,22,26,30,34-nonamethyl-36-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-2,26,30,34-tetraene-6,10,14,18,22-pentol |
| Manual Xrefs | Databases |
|---|---|
| 8073229 | ChemSpider |