EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:217007 - Botryotin B
| Formula | C20H32O5 |
| Net Charge | 0 |
| Average Mass | 352.471 |
| Monoisotopic Mass | 352.22497 |
| SMILES | C[C@@]1(CO)[C@H](O)CC[C@]2(C)C3=C[C@H]4[C@@H](O)[C@]3(CC[C@@H]12)CC[C@]4(O)CO |
| InChI | InChI=1S/C20H32O5/c1-17-5-4-15(23)18(2,10-21)13(17)3-6-19-7-8-20(25,11-22)12(16(19)24)9-14(17)19/h9,12-13,15-16,21-25H,3-8,10-11H2,1-2H3/t12-,13+,15+,16+,17-,18-,19+,20-/m0/s1 |
| InChIKey | WMPSVBGPWPMDOE-JIJHKKPBSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Botrytis cinerea (ncbitaxon:40559) | - | PubMed (31880464) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Botryotin B (CHEBI:217007) is a tertiary alcohol (CHEBI:26878) |
| IUPAC Name |
|---|
| (1R,4R,5R,6R,9S,12S,13R,16R)-5,13-bis(hydroxymethyl)-5,9-dimethyltetracyclo[10.3.1.01,10.04,9]hexadec-10-ene-6,13,16-triol |
| Manual Xrefs | Databases |
|---|---|
| 81363748 | ChemSpider |