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CHEBI:205114 - Ganoderic acid GS-3
| Formula | C32H46O8 |
| Net Charge | 0 |
| Average Mass | 558.712 |
| Monoisotopic Mass | 558.31927 |
| SMILES | CC(=O)O[C@@H]1C(=O)C2=C([C@@H](O)C[C@H]3C(C)(C)[C@@H](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/C32H46O8/c1-16(10-9-11-17(2)28(38)39)19-14-23(36)32(8)24-20(34)15-21-29(4,5)22(35)12-13-30(21,6)25(24)26(37)27(31(19,32)7)40-18(3)33/h11,16,19-22,27,34-35H,9-10,12-15H2,1-8H3,(H,38,39)/b17-11+/t16-,19-,20+,21+,22+,27-,30+,31+,32+/m1/s1 |
| InChIKey | BVQKWBKBNWFWQI-JQHOPTAZSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ganoderma sinense (ncbitaxon:36075) | - | PubMed (19801861) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Ganoderic acid GS-3 (CHEBI:205114) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (E,6R)-6-[(3S,5R,7S,10S,12S,13R,14R,17R)-12-acetyloxy-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78437240 | ChemSpider |