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CHEBI:215604 - Resinacein R
| Formula | C31H48O7 |
| Net Charge | 0 |
| Average Mass | 532.718 |
| Monoisotopic Mass | 532.34000 |
| SMILES | COC(=O)C(C)C(O)C(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3 |
| InChI | InChI=1S/C31H48O7/c1-16(13-20(32)26(36)17(2)27(37)38-8)19-14-24(35)31(7)18-9-10-22-28(3,4)23(34)11-12-29(22,5)25(18)21(33)15-30(19,31)6/h16-17,19,22-24,26,34-36H,9-15H2,1-8H3/t16-,17?,19-,22?,23+,24+,26?,29+,30-,31-/m1/s1 |
| InChIKey | FDTJOWCIQUMVQC-BBHZPCASSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ganoderma resinaceum (ncbitaxon:34465) | - | PubMed (29490285) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Resinacein R (CHEBI:215604) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| methyl (6R)-6-[(3S,10S,13R,14R,15S,17R)-3,15-dihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-3-hydroxy-2-methyl-4-oxoheptanoate |
| Manual Xrefs | Databases |
|---|---|
| 78445652 | ChemSpider |