EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:211499 - Neocarzilin B
| Formula | C13H15Cl3O2 |
| Net Charge | 0 |
| Average Mass | 309.620 |
| Monoisotopic Mass | 308.01376 |
| SMILES | CC(C)/C=C/C=C/C=C/C(O)=C/C(=O)C(Cl)(Cl)Cl |
| InChI | InChI=1S/C13H15Cl3O2/c1-10(2)7-5-3-4-6-8-11(17)9-12(18)13(14,15)16/h3-10,17H,1-2H3/b4-3+,7-5+,8-6+,11-9- |
| InChIKey | AMLVEWQRORIQBK-DSCOCKGISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces carzinostaticus (ncbitaxon:1897) | - | DOI (10.1016/s0040-4039(00)60820-1) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Neocarzilin B (CHEBI:211499) is a enone (CHEBI:51689) |
| IUPAC Name |
|---|
| (3Z,5E,7E,9E)-1,1,1-trichloro-4-hydroxy-11-methyldodeca-3,5,7,9-tetraen-2-one |
| Manual Xrefs | Databases |
|---|---|
| 78434587 | ChemSpider |