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CHEBI:220239 - Chlorotonil C1

ChEBI IDCHEBI:220239
ChEBI NameChlorotonil C1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H33ClO4
Net Charge0
Average Mass432.988
Monoisotopic Mass432.20674
SMILESC[C@@H]1C(=O)O[C@@H](C)/C=C/C=C\[C@@H](C)[C@@H]2C=C[C@@H]3CCC[C@@H](C)[C@H]3[C@@H]2C(O)=C(Cl)C1=O
InChIInChI=1S/C25H33ClO4/c1-14-8-5-6-10-16(3)30-25(29)17(4)23(27)22(26)24(28)21-19(14)13-12-18-11-7-9-15(2)20(18)21/h5-6,8,10,12-21,28H,7,9,11H2,1-4H3/b8-5-,10-6+,24-22?/t14-,15-,16+,17+,18+,19+,20-,21-/m1/s1
InChIKeyZDZUJCWDEUTDAT-SDCKYNMJSA-N
Species of MetaboliteComponentSourceComments
Sorangium (ncbitaxon:39643) - PubMed (26348978)
ChEBI Ontology
Outgoing Relation(s)
Chlorotonil C1 (CHEBI:220239) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,2R,3Z,5E,7S,10S,14R,15R,16R,20S)-12-chloro-13-hydroxy-2,7,10,16-tetramethyl-8-oxatricyclo[12.8.0.015,20]docosa-3,5,12,21-tetraene-9,11-dione