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CHEBI:197654 - Inoterpene E
| Formula | C30H50O4 |
| Net Charge | 0 |
| Average Mass | 474.726 |
| Monoisotopic Mass | 474.37091 |
| SMILES | CC(C)(C=CC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)OO |
| InChI | InChI=1S/C30H50O4/c1-26(2,34-33)15-8-9-20(19-31)21-12-17-30(7)23-10-11-24-27(3,4)25(32)14-16-28(24,5)22(23)13-18-29(21,30)6/h8,15,20-21,24-25,31-33H,9-14,16-19H2,1-7H3/t20-,21+,24-,25-,28+,29+,30-/m0/s1 |
| InChIKey | WKQMXHFMAPGWJI-ABNKVAORSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Inonotus obliquus (ncbitaxon:167356) | - | DOI (10.1016/j.tet.2009.01.076) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Inoterpene E (CHEBI:197654) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (3S,5R,10S,13R,14R,17R)-17-[(2R)-6-hydroperoxy-1-hydroxy-6-methylhept-4-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol |