EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:203570 - Inonotusol E
| Formula | C30H48O5 |
| Net Charge | 0 |
| Average Mass | 488.709 |
| Monoisotopic Mass | 488.35017 |
| SMILES | CC(C)(O)[C@@H]1CC[C@H]([C@@H]2CC[C@@]3(C)C4=C([C@H](O)C[C@]23C)[C@@]2(C)CC[C@@H](O)C(C)(C)C2CC4=O)[C@@H]1O |
| InChI | InChI=1S/C30H48O5/c1-26(2)21-14-19(31)24-23(28(21,5)12-11-22(26)33)20(32)15-30(7)17(10-13-29(24,30)6)16-8-9-18(25(16)34)27(3,4)35/h16-18,20-22,25,32-35H,8-15H2,1-7H3/t16-,17+,18-,20-,21?,22-,25+,28+,29+,30-/m1/s1 |
| InChIKey | NCMHHGGEBVBXDI-HYSNDPNRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Inonotus obliquus (ncbitaxon:167356) | - | PubMed (24359303) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Inonotusol E (CHEBI:203570) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (3R,10S,11R,13R,14R,17S)-3,11-dihydroxy-17-[(1R,2S,3R)-2-hydroxy-3-(2-hydroxypropan-2-yl)cyclopentyl]-4,4,10,13,14-pentamethyl-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one |
| Manual Xrefs | Databases |
|---|---|
| 78440951 | ChemSpider |