EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:223703 - 1-hydroxychevalone C
| Formula | C28H40O6 |
| Net Charge | 0 |
| Average Mass | 472.622 |
| Monoisotopic Mass | 472.28249 |
| SMILES | CC(=O)O[C@H]1C[C@@H](O)[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@]2(C)Oc4oc(C)cc(=O)c4C[C@@H]32)C1(C)C |
| InChI | InChI=1S/C28H40O6/c1-15-12-18(30)17-13-21-26(5)10-8-19-25(3,4)23(33-16(2)29)14-22(31)28(19,7)20(26)9-11-27(21,6)34-24(17)32-15/h12,19-23,31H,8-11,13-14H2,1-7H3/t19-,20-,21-,22+,23-,26+,27-,28-/m0/s1 |
| InChIKey | LZBXCRPVMLUQBA-YSROZDOKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Neosartorya (ncbitaxon:36629) | - | PubMed (27680770) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-hydroxychevalone C (CHEBI:223703) is a organic heterotricyclic compound (CHEBI:26979) |
| 1-hydroxychevalone C (CHEBI:223703) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| [(1R,2S,11S,14S,15R,16R,18S,20S)-16-hydroxy-1,7,11,15,19,19-hexamethyl-5-oxo-8,10-dioxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),6-dien-18-yl] acetate |
| Manual Xrefs | Databases |
|---|---|
| 78442092 | ChemSpider |