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CHEBI:202669 - Chlorotonil A

ChEBI IDCHEBI:202669
ChEBI NameChlorotonil A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32Cl2O4
Net Charge0
Average Mass479.444
Monoisotopic Mass478.16776
SMILESCC1=C[C@@H](C)[C@H]2[C@@H]3C(=O)C(Cl)(Cl)C(=O)[C@H](C)C(=O)O[C@@H](C)/C=C/C=C\[C@@H](C)[C@@H]3C=C[C@@H]2C1
InChIInChI=1S/C26H32Cl2O4/c1-14-12-16(3)21-19(13-14)10-11-20-15(2)8-6-7-9-17(4)32-25(31)18(5)23(29)26(27,28)24(30)22(20)21/h6-12,15-22H,13H2,1-5H3/b8-6-,9-7+/t15-,16-,17+,18+,19-,20+,21-,22-/m1/s1
InChIKeyRQYZFUUTQJMTMJ-JCSZEPHKSA-N
Species of MetaboliteComponentSourceComments
Sorangium cellulosum (ncbitaxon:56) - PubMed (25114138)
ChEBI Ontology
Outgoing Relation(s)
Chlorotonil A (CHEBI:202669) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,2R,3Z,5E,7S,10S,14R,15R,16S,20S)-12,12-dichloro-2,7,10,16,18-pentamethyl-8-oxatricyclo[12.8.0.015,20]docosa-3,5,17,21-tetraene-9,11,13-trione
Manual XrefsDatabases
28284718ChemSpider