EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C32H52O6 |
| Net Charge | 0 |
| Average Mass | 532.762 |
| Monoisotopic Mass | 532.37639 |
| SMILES | CC1=C\[C@@H](C)[C@@H](O)/C=C/CC/C=C/C=C/C[C@@H]([C@@H](C)CCC(O)C(C)C(O)C(C)C(C)O)OC(=O)\C(C)=C\1 |
| InChI | InChI=1S/C32H52O6/c1-21-19-23(3)28(34)15-13-11-9-8-10-12-14-16-30(38-32(37)24(4)20-21)22(2)17-18-29(35)26(6)31(36)25(5)27(7)33/h8,10,12-15,19-20,22-23,25-31,33-36H,9,11,16-18H2,1-7H3/b10-8+,14-12+,15-13+,21-19+,24-20+/t22-,23+,25?,26?,27?,28-,29?,30-,31?/m0/s1 |
| InChIKey | BLYZUBYBBZIPIQ-XYLUMZEPSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | - | PubMed (8002384) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| FD-892 (CHEBI:203712) is a macrolide (CHEBI:25106) |
| IUPAC Name |
|---|
| (3E,5E,7R,8S,9E,13E,15E,18S)-8-hydroxy-3,5,7-trimethyl-18-[(2S)-5,7,9-trihydroxy-6,8-dimethyldecan-2-yl]-1-oxacyclooctadeca-3,5,9,13,15-pentaen-2-one |
| Manual Xrefs | Databases |
|---|---|
| 8612517 | ChemSpider |