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CHEBI:220233 - Chlorotonil B

ChEBI IDCHEBI:220233
ChEBI NameChlorotonil B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H33ClO4
Net Charge0
Average Mass444.999
Monoisotopic Mass444.20674
SMILESCC1=C[C@@H](C)[C@H]2[C@@H]3C(O)=C(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/C26H33ClO4/c1-14-12-16(3)21-19(13-14)10-11-20-15(2)8-6-7-9-17(4)31-26(30)18(5)24(28)23(27)25(29)22(20)21/h6-12,15-22,29H,13H2,1-5H3/b8-6-,9-7+,25-23?/t15-,16-,17+,18+,19-,20+,21-,22-/m1/s1
InChIKeyPRDYFVACIFYQON-RRIVRMFHSA-N
Species of MetaboliteComponentSourceComments
Sorangium (ncbitaxon:39643) - PubMed (26348978)
ChEBI Ontology
Outgoing Relation(s)
Chlorotonil B (CHEBI:220233) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,2R,3Z,5E,7S,10S,14R,15R,16S,20S)-12-chloro-13-hydroxy-2,7,10,16,18-pentamethyl-8-oxatricyclo[12.8.0.015,20]docosa-3,5,12,17,21-pentaene-9,11-dione