EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:207602 - Gloeophyllin K
| Formula | C32H50O6 |
| Net Charge | 0 |
| Average Mass | 530.746 |
| Monoisotopic Mass | 530.36074 |
| SMILES | CC(=O)O[C@H]1CC([C@@H](CC/C=C(\C)CO)C(=O)O)[C@@]2(C)CCC3=C(CCC4C(C)(C)[C@@H](O)CC[C@]34C)[C@]12C |
| InChI | InChI=1S/C32H50O6/c1-19(18-33)9-8-10-21(28(36)37)24-17-27(38-20(2)34)32(7)23-11-12-25-29(3,4)26(35)14-15-30(25,5)22(23)13-16-31(24,32)6/h9,21,24-27,33,35H,8,10-18H2,1-7H3,(H,36,37)/b19-9+/t21-,24?,25?,26+,27+,30-,31-,32-/m1/s1 |
| InChIKey | MIKGCHXKQAUUCC-RVXPUFNESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Gloeophyllum odoratum (ncbitaxon:139427) | - | PubMed (30130818) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Gloeophyllin K (CHEBI:207602) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (E,2R)-2-[(3S,10S,13R,14R,15S)-15-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-7-hydroxy-6-methylhept-5-enoic acid |