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CHEBI:210112 - (S)-colletotrialide

ChEBI IDCHEBI:210112
ChEBI Name(S)-colletotrialide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O6
Net Charge0
Average Mass308.330
Monoisotopic Mass308.12599
SMILESCCCC(=O)CC[C@@H]1OC(=O)c2c1cc(OC)c(OC)c2O
InChIInChI=1S/C16H20O6/c1-4-5-9(17)6-7-11-10-8-12(20-2)15(21-3)14(18)13(10)16(19)22-11/h8,11,18H,4-7H2,1-3H3/t11-/m0/s1
InChIKeyZMZJTAURJHTVMU-NSHDSACASA-N
Species of MetaboliteComponentSourceComments
Exserohilum (ncbitaxon:91493) - PubMed (30091601)
ChEBI Ontology
Outgoing Relation(s)
(S)-colletotrialide (CHEBI:210112) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3S)-7-hydroxy-5,6-dimethoxy-3-(3-oxohexyl)-3H-2-benzouran-1-one
Manual XrefsDatabases
71044422ChemSpider