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CHEBI:204293 - Coniothienol A

ChEBI IDCHEBI:204293
ChEBI NameConiothienol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O7S
Net Charge0
Average Mass352.364
Monoisotopic Mass352.06167
SMILESCOC(=O)[C@@]1(O)c2c(oc3cc(C)cc(O)c3c2=O)S[C@@H]1CCO
InChIInChI=1S/C16H16O7S/c1-7-5-8(18)11-9(6-7)23-14-12(13(11)19)16(21,15(20)22-2)10(24-14)3-4-17/h5-6,10,17-18,21H,3-4H2,1-2H3/t10-,16+/m1/s1
InChIKeyBDYJSOKLOOSSOO-HWPZZCPQSA-N
Species of MetaboliteComponentSourceComments
Coniochaetaspecies (ncbitaxon:1849801) - PubMed (20919732)
ChEBI Ontology
Outgoing Relation(s)
Coniothienol A (CHEBI:204293) is a chromones (CHEBI:23238)
IUPAC Name 
methyl (2R,3S)-3,5-dihydroxy-2-(2-hydroxyethyl)-7-methyl-4-oxo-2H-thieno[2,3-b]chromene-3-carboxylate
Manual XrefsDatabases
78437118ChemSpider