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CHEBI:213607 - Coniothiepinol A

ChEBI IDCHEBI:213607
ChEBI NameConiothiepinol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H14O7S
Net Charge0
Average Mass350.348
Monoisotopic Mass350.04602
SMILESCOC(=O)[C@@]12O[C@@H](C[C@H]1O)c1c(oc3cc(C)cc(O)c3c1=O)S2
InChIInChI=1S/C16H14O7S/c1-6-3-7(17)11-8(4-6)22-14-12(13(11)19)9-5-10(18)16(23-9,24-14)15(20)21-2/h3-4,9-10,17-18H,5H2,1-2H3/t9-,10+,16+/m0/s1
InChIKeyZAJGJRDUCPFVRJ-YNHOBRIKSA-N
Species of MetaboliteComponentSourceComments
Coniochaetaspecies (ncbitaxon:1849801) - PubMed (20919732)
ChEBI Ontology
Outgoing Relation(s)
Coniothiepinol A (CHEBI:213607) is a chromones (CHEBI:23238)
IUPAC Name 
methyl (1S,13R,14R)-5,14-dihydroxy-7-methyl-3-oxo-10,16-dioxa-12-thiatetracyclo[11.2.1.02,11.04,9]hexadeca-2(11),4,6,8-tetraene-13-carboxylate
Manual XrefsDatabases
28288286ChemSpider