EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:224595 - Isotrichophycin C

ChEBI IDCHEBI:224595
ChEBI NameIsotrichophycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32Cl2O2
Net Charge0
Average Mass399.402
Monoisotopic Mass398.17794
SMILESC[C@H](CC[C@@H](O)C/C(=C\Cl)Cc1ccccc1)C[C@@H](C)[C@@H](O)C/C=C/Cl
InChIInChI=1S/C22H32Cl2O2/c1-17(13-18(2)22(26)9-6-12-23)10-11-21(25)15-20(16-24)14-19-7-4-3-5-8-19/h3-8,12,16-18,21-22,25-26H,9-11,13-15H2,1-2H3/b12-6+,20-16-/t17-,18-,21-,22+/m1/s1
InChIKeySJNVRGHRZJFALE-SHZUKAAQSA-N
Species of MetaboliteComponentSourceComments
Trichodesmium thiebautii (ncbitaxon:1208) - PubMed (32816476)
ChEBI Ontology
Outgoing Relation(s)
Isotrichophycin C (CHEBI:224595) is a benzenes (CHEBI:22712)
IUPAC Name 
(1Z,4R,7R,9R,10S,12E)-2-benzyl-1,13-dichloro-7,9-dimethyltrideca-1,12-diene-4,10-diol
Manual XrefsDatabases
92172196ChemSpider