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CHEBI:222319 - Coniothiepinol B

ChEBI IDCHEBI:222319
ChEBI NameConiothiepinol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O6S
Net Charge0
Average Mass336.365
Monoisotopic Mass336.06676
SMILESCOC(=O)[C@@H]1c2c(oc3cc(C)cc(O)c3c2=O)SCC[C@@H]1O
InChIInChI=1S/C16H16O6S/c1-7-5-9(18)11-10(6-7)22-16-13(14(11)19)12(15(20)21-2)8(17)3-4-23-16/h5-6,8,12,17-18H,3-4H2,1-2H3/t8-,12-/m0/s1
InChIKeyMPHQSGJZCKVHOE-UFBFGSQYSA-N
Species of MetaboliteComponentSourceComments
Coniochaetaspecies (ncbitaxon:1849801) - PubMed (20919732)
ChEBI Ontology
Outgoing Relation(s)
Coniothiepinol B (CHEBI:222319) is a chromones (CHEBI:23238)
IUPAC Name 
methyl (4S,5R)-4,7-dihydroxy-9-methyl-6-oxo-2,3,4,5-tetrahydrothiepino[2,3-b]chromene-5-carboxylate
Manual XrefsDatabases
78437697ChemSpider