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CHEBI:201701 - Acetyl ganohainanic acid D
| Formula | C32H46O8 |
| Net Charge | 0 |
| Average Mass | 558.712 |
| Monoisotopic Mass | 558.31927 |
| SMILES | CC(=O)OC[C@]1(C)C(=O)CC[C@]2(C)C3=C(C(=O)C[C@@H]12)[C@]1(C)[C@H](O)C[C@H]([C@H](C)CC(=O)C[C@H](C)C(=O)O)[C@@]1(C)CC3 |
| InChI | InChI=1S/C32H46O8/c1-17(12-20(34)13-18(2)28(38)39)22-14-26(37)32(7)27-21(8-11-31(22,32)6)29(4)10-9-25(36)30(5,16-40-19(3)33)24(29)15-23(27)35/h17-18,22,24,26,37H,8-16H2,1-7H3,(H,38,39)/t17-,18+,22-,24-,26-,29-,30+,31-,32+/m1/s1 |
| InChIKey | YBRPSINOXZSXPS-HEEVUTDHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ganoderma (ncbitaxon:5314) | - | PubMed (25457485) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Acetyl ganohainanic acid D (CHEBI:201701) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (2S,6R)-6-[(4R,5R,10S,13R,14R,15R,17R)-4-(acetyloxymethyl)-15-hydroxy-4,10,13,14-tetramethyl-3,7-dioxo-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78441996 | ChemSpider |