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CHEBI:220004 - Ganoleucoin J
| Formula | C38H52O13 |
| Net Charge | 0 |
| Average Mass | 716.821 |
| Monoisotopic Mass | 716.34079 |
| SMILES | CC(=O)O[C@H]1C(=O)C2=C([C@@H](O)C[C@H]3[C@](C)(COC(=O)C[C@@](C)(O)CC(=O)O)C(=O)CC[C@]23C)[C@]2(C)C(=O)C[C@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@]12C |
| InChI | InChI=1S/C38H52O13/c1-19(10-9-11-20(2)33(47)48)22-14-26(42)38(8)29-23(40)15-24-35(5,30(29)31(46)32(37(22,38)7)51-21(3)39)13-12-25(41)36(24,6)18-50-28(45)17-34(4,49)16-27(43)44/h11,19,22-24,32,40,49H,9-10,12-18H2,1-8H3,(H,43,44)(H,47,48)/b20-11+/t19-,22-,23+,24-,32+,34+,35+,36+,37+,38+/m1/s1 |
| InChIKey | IOWUVXAOWFISEL-PKNWOKOSSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ganoderma leucocontextum (ncbitaxon:1566825) | - | PubMed (26287401) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Ganoleucoin J (CHEBI:220004) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (E,6R)-6-[(4R,5R,7S,10S,12R,13R,14R,17R)-12-acetyloxy-4-[[(3S)-4-carboxy-3-hydroxy-3-methylbutanoyl]oxymethyl]-7-hydroxy-4,10,13,14-tetramethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid |
| Manual Xrefs | Databases |
|---|---|
| 59000160 | ChemSpider |