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CHEBI:219986 - Aeruginosol B
| Formula | C30H50O5 |
| Net Charge | 0 |
| Average Mass | 490.725 |
| Monoisotopic Mass | 490.36582 |
| SMILES | CC(C)(O)[C@H]1CCC([C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O)[C@H](O)C[C@]5(C)C4=CC[C@]23C)[C@@H](O)O1 |
| InChI | InChI=1S/C30H50O5/c1-26(2)22-10-9-20-19(28(22,5)16-21(31)24(26)32)13-15-29(6)18(12-14-30(20,29)7)17-8-11-23(27(3,4)34)35-25(17)33/h13,17-18,20-25,31-34H,8-12,14-16H2,1-7H3/t17?,18-,20-,21-,22+,23-,24+,25+,28-,29-,30+/m1/s1 |
| InChIKey | ZCGUUZJOOPGTNS-FDLCNJDLSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Stropharia aeruginosa (ncbitaxon:109659) | - | PubMed (17885840) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Aeruginosol B (CHEBI:219986) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (2R,3R,5R,8S,10S,13R,14S,17R)-17-[(2S,6R)-2-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3-diol |
| Manual Xrefs | Databases |
|---|---|
| 78438196 | ChemSpider |