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CHEBI:218600 - Epiremisporine B1
| Formula | C31H26O12 |
| Net Charge | 0 |
| Average Mass | 590.537 |
| Monoisotopic Mass | 590.14243 |
| SMILES | CCOC(=O)C1(O)O[C@]2(C(=O)OC)c3c(oc4cc(C)cc(O)c4c3=O)[C@@H]3c4c(oc5cc(C)cc(O)c5c4=O)C[C@H]1[C@@H]32 |
| InChI | InChI=1S/C31H26O12/c1-5-40-29(37)31(38)13-10-18-21(25(34)19-14(32)6-11(2)8-16(19)41-18)22-23(13)30(43-31,28(36)39-4)24-26(35)20-15(33)7-12(3)9-17(20)42-27(22)24/h6-9,13,22-23,32-33,38H,5,10H2,1-4H3/t13-,22+,23-,30-,31?/m0/s1 |
| InChIKey | SNFLPKLAUHTSPB-BRRUTGGPSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Talaromyces purpureogenus (ncbitaxon:1266744) | - | PubMed (26295241) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Epiremisporine B1 (CHEBI:218600) is a diterpenoid (CHEBI:23849) |
| IUPAC Name |
|---|
| 14-O-ethyl 12-O-methyl (1S,12S,15S,27R)-8,14,23-trihydroxy-6,21-dimethyl-10,25-dioxo-3,13,18-trioxaheptacyclo[13.11.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),4,6,8,17(26),19,21,23-octaene-12,14-dicarboxylate |