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CHEBI:199593 - Chaetochiversin A

ChEBI IDCHEBI:199593
ChEBI NameChaetochiversin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H17ClO6
Net Charge0
Average Mass364.781
Monoisotopic Mass364.07137
SMILESC[C@@H](O)C[C@H]1O[C@@H]1/C=C\C=C\c1cc2c(Cl)c(O)cc(O)c2c(=O)o1
InChIInChI=1S/C18H17ClO6/c1-9(20)6-15-14(25-15)5-3-2-4-10-7-11-16(18(23)24-10)12(21)8-13(22)17(11)19/h2-5,7-9,14-15,20-22H,6H2,1H3/b4-2+,5-3-/t9-,14-,15-/m1/s1
InChIKeyCAMTVDHHRVKTTB-GTMNPGAYSA-N
Species of MetaboliteComponentSourceComments
Neophaeosphaeria quadriseptata (ncbitaxon:125377) - DOI (10.1016/j.tet.2006.06.089)
ChEBI Ontology
Outgoing Relation(s)
Chaetochiversin A (CHEBI:199593) is a isocoumarins (CHEBI:38758)
IUPAC Name 
5-chloro-6,8-dihydroxy-3-[(1E,3Z)-4-[(2R,3R)-3-[(2R)-2-hydroxypropyl]oxiran-2-yl]buta-1,3-dienyl]isochromen-1-one
Manual XrefsDatabases
78442484ChemSpider