EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:212283 - methyl ganosinensate A
| Formula | C28H40O6 |
| Net Charge | 0 |
| Average Mass | 472.622 |
| Monoisotopic Mass | 472.28249 |
| SMILES | COC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C4[C@]5(C)[C@@H](C[C@@H]3O)C(C)(C)C(=O)C[C@@H]5[C@]4(O)C[C@]12C |
| InChI | InChI=1S/C28H40O6/c1-14(8-9-21(32)34-7)15-10-20(31)27(6)22-16(29)11-17-24(2,3)19(30)12-18-26(17,5)23(22)28(18,33)13-25(15,27)4/h14-18,29,33H,8-13H2,1-7H3/t14-,15-,16+,17+,18+,25-,26-,27+,28-/m1/s1 |
| InChIKey | ZEBQFRRQMRKCDY-PNANWIQHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ganoderma sinense (ncbitaxon:36075) | - | PubMed (20232901) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| methyl ganosinensate A (CHEBI:212283) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| methyl (4R)-4-[(2R,3S,7R,9S,11R,14R,15R,17R)-9,17-dihydroxy-2,6,6,11,15-pentamethyl-5,12-dioxo-14-pentacyclo[8.7.0.02,7.03,17.011,15]heptadec-1(10)-enyl]pentanoate |
| Manual Xrefs | Databases |
|---|---|
| 78441113 | ChemSpider |