EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C37H58O9 |
| Net Charge | 0 |
| Average Mass | 646.862 |
| Monoisotopic Mass | 646.40808 |
| SMILES | CCC(C)CC(C)/C=C(C)/C=C/CC(C)C(O)C(C)/C=C(C)/C=C/C(O)C(C)c1cc(O)c(C2OC(CO)CC(O)C2O)c(=O)o1 |
| InChI | InChI=1S/C37H58O9/c1-9-21(2)15-24(5)16-22(3)11-10-12-25(6)34(42)26(7)17-23(4)13-14-29(39)27(8)32-19-30(40)33(37(44)46-32)36-35(43)31(41)18-28(20-38)45-36/h10-11,13-14,16-17,19,21,24-29,31,34-36,38-43H,9,12,15,18,20H2,1-8H3/b11-10+,14-13+,22-16+,23-17+ |
| InChIKey | YGLKXOYPYOHGNS-YKCFUFIQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Phoma (ncbitaxon:37463) | - | PubMed (12617512) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| YM-202204 (CHEBI:215980) is a sesterterpenoid (CHEBI:26660) |
| IUPAC Name |
|---|
| 6-[(4E,6E,12E,14E)-3,9-dihydroxy-6,8,10,14,16,18-hexamethylicosa-4,6,12,14-tetraen-2-yl]-3-[3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-4-hydroxypyran-2-one |
| Manual Xrefs | Databases |
|---|---|
| 29303912 | ChemSpider |