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CHEBI:225467 - Cryptosporiopsin A

ChEBI IDCHEBI:225467
ChEBI NameCryptosporiopsin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H21ClO6
Net Charge0
Average Mass380.824
Monoisotopic Mass380.10267
SMILESCOc1cc(O)c(Cl)c2c1C(=O)O[C@H](C)CCC(=O)CC/C=C/C(=O)C2
InChIInChI=1S/C19H21ClO6/c1-11-7-8-12(21)5-3-4-6-13(22)9-14-17(19(24)26-11)16(25-2)10-15(23)18(14)20/h4,6,10-11,23H,3,5,7-9H2,1-2H3/b6-4+/t11-/m1/s1
InChIKeyWJNTWPSDKYZENI-DUMNWFOQSA-N
Species of MetaboliteComponentSourceComments
Cryptosporiopsisspecies (ncbitaxon:1756097) - PubMed (22883958)
ChEBI Ontology
Outgoing Relation(s)
Cryptosporiopsin A (CHEBI:225467) is a macrolide (CHEBI:25106)
IUPAC Name 
(4R,10E)-15-chloro-16-hydroxy-18-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(18),10,14,16-tetraene-2,7,12-trione
Manual XrefsDatabases
65322823ChemSpider