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CHEBI:217027 - Botryotin E
| Formula | C22H34O5 |
| Net Charge | 0 |
| Average Mass | 378.509 |
| Monoisotopic Mass | 378.24062 |
| SMILES | CC(=O)OC[C@@]1(O)CC[C@]23CC[C@H]4[C@](C)(CO)CCC[C@]4(C)C2=C[C@H]1[C@H]3O |
| InChI | InChI=1S/C22H34O5/c1-14(24)27-13-22(26)10-9-21-8-5-16-19(2,12-23)6-4-7-20(16,3)17(21)11-15(22)18(21)25/h11,15-16,18,23,25-26H,4-10,12-13H2,1-3H3/t15-,16-,18+,19-,20-,21+,22-/m0/s1 |
| InChIKey | KWHYFOXICJZIBH-OTICVBGHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Botrytis cinerea (ncbitaxon:40559) | - | PubMed (31880464) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Botryotin E (CHEBI:217027) is a tertiary alcohol (CHEBI:26878) |
| IUPAC Name |
|---|
| [(1R,4R,5R,9S,12S,13R,16R)-13,16-dihydroxy-5-(hydroxymethyl)-5,9-dimethyl-13-tetracyclo[10.3.1.01,10.04,9]hexadec-10-enyl]methyl acetate |
| Manual Xrefs | Databases |
|---|---|
| 81363751 | ChemSpider |