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CHEBI:220617 - Conioxepinol A

ChEBI IDCHEBI:220617
ChEBI NameConioxepinol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H14O7
Net Charge0
Average Mass318.281
Monoisotopic Mass318.07395
SMILESCOC(=O)[C@@H]1c2c(oc3cc(C)cc(O)c3c2=O)OC=C[C@@H]1O
InChIInChI=1S/C16H14O7/c1-7-5-9(18)11-10(6-7)23-16-13(14(11)19)12(15(20)21-2)8(17)3-4-22-16/h3-6,8,12,17-18H,1-2H3/t8-,12-/m0/s1
InChIKeySXJQWEKVIZXNTB-UFBFGSQYSA-N
Species of MetaboliteComponentSourceComments
Coniochaetaspecies (ncbitaxon:1849801) - PubMed (20405881)
ChEBI Ontology
Outgoing Relation(s)
Conioxepinol A (CHEBI:220617) is a coumarins (CHEBI:23403)
IUPAC Name 
methyl (4S,5R)-4,7-dihydroxy-9-methyl-6-oxo-4,5-dihydrooxepino[2,3-b]chromene-5-carboxylate
Manual XrefsDatabases
24678104ChemSpider