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CHEBI:217610 - Celastramycin A

ChEBI IDCHEBI:217610
ChEBI NameCelastramycin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H18Cl3NO3
Net Charge0
Average Mass390.694
Monoisotopic Mass389.03523
SMILESCCCCCCc1cc(Cl)c(O)c(C(=O)c2cnc(Cl)c2Cl)c1O
InChIInChI=1S/C17H18Cl3NO3/c1-2-3-4-5-6-9-7-11(18)16(24)12(14(9)22)15(23)10-8-21-17(20)13(10)19/h7-8,21-22,24H,2-6H2,1H3
InChIKeyJCODZTWACRQCLZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (12430026)
ChEBI Ontology
Outgoing Relation(s)
Celastramycin A (CHEBI:217610) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(3-chloro-5-hexyl-2,6-dihydroxyphenyl)-(4,5-dichloro-1H-pyrrol-3-yl)methanone
Manual XrefsDatabases
8332745ChemSpider