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CHEBI:200242 - Gymnopilin A-9
| Formula | C51H94O12 |
| Net Charge | 0 |
| Average Mass | 899.301 |
| Monoisotopic Mass | 898.67453 |
| SMILES | CC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC/C(C)=C/CC/C(C)=C/CCC(C)(O)[C@H](O)COC(=O)CC(C)(O)CC(=O)O |
| InChI | InChI=1S/C51H94O12/c1-39(2)20-13-25-45(5,56)27-16-29-47(7,58)31-18-33-49(9,60)34-19-32-48(8,59)30-17-28-46(6,57)26-14-23-40(3)21-12-22-41(4)24-15-35-51(11,62)42(52)38-63-44(55)37-50(10,61)36-43(53)54/h20-21,24,42,52,56-62H,12-19,22-23,25-38H2,1-11H3,(H,53,54)/b40-21+,41-24+/t42-,45?,46?,47?,48?,49?,50?,51?/m1/s1 |
| InChIKey | JNPNBPGXYIYVEV-FFSGXVOLSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Gymnopilusspeciesctabilis (ncbitaxon:171613) | - | DOI (10.1016/s0040-4039(00)81824-9) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Gymnopilin A-9 (CHEBI:200242) is a polyterpenoid (CHEBI:26207) |
| IUPAC Name |
|---|
| 5-[(2R,6E,10E)-2,3,15,19,23,27,31-heptahydroxy-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-6,10,34-trienoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78445055 | ChemSpider |