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CHEBI:203753 - Conioxepinol C

ChEBI IDCHEBI:203753
ChEBI NameConioxepinol C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H14O8
Net Charge0
Average Mass334.280
Monoisotopic Mass334.06887
SMILESCOC(=O)[C@@]1(O)c2c(oc3cc(C)cc(O)c3c2=O)OC=C[C@@H]1O
InChIInChI=1S/C16H14O8/c1-7-5-8(17)11-9(6-7)24-14-12(13(11)19)16(21,15(20)22-2)10(18)3-4-23-14/h3-6,10,17-18,21H,1-2H3/t10-,16-/m0/s1
InChIKeyYNFKKJNKRJPCSS-QFYYESIMSA-N
Species of MetaboliteComponentSourceComments
Coniochaetaspecies (ncbitaxon:1849801) - PubMed (20405881)
ChEBI Ontology
Outgoing Relation(s)
Conioxepinol C (CHEBI:203753) is a coumarins (CHEBI:23403)
IUPAC Name 
methyl (4S,5R)-4,5,7-trihydroxy-9-methyl-6-oxo-4H-oxepino[2,3-b]chromene-5-carboxylate
Manual XrefsDatabases
24678105ChemSpider