CHEBI:220233 - Chlorotonil B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Chlorotonil B
ChEBI ID CHEBI:220233
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H33ClO4
Net Charge 0
Average Mass 445.000
Monoisotopic Mass 444.20674
InChI InChI=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
InChIKey PRDYFVACIFYQON-RRIVRMFHSA-N
SMILES ClC=1C(=O)[C@@H](C(=O)O[C@H](C=CC=C[C@H]([C@H]2[C@@H](C1O)[C@H]3[C@@H](CC(C)=C[C@H]3C)C=C2)C)C)C
Metabolite of Species Details
Sorangium (NCBI:txid39643) See: PubMed
ChEBI Ontology
Outgoing 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