CHEBI:201928 - Conioxepinol D

ChEBI IDCHEBI:201928
ChEBI NameConioxepinol D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H14O8
Net Charge0
Average Mass334.280
Monoisotopic Mass334.06887
SMILESCOC(=O)[C@]12Oc3cc(C)cc(O)c3C(O)=C1C(=O)OC=C[C@H]2O
InChIInChI=1S/C16H14O8/c1-7-5-8(17)11-9(6-7)24-16(15(21)22-2)10(18)3-4-23-14(20)12(16)13(11)19/h3-6,10,17-19H,1-2H3/t10-,16-/m1/s1
InChIKeyLJZIATQTOHOMBR-QLJPJBMISA-N
Species of MetaboliteComponentSourceComments
Coniochaetaspecies (ncbitaxon:1849801) - PubMed (20405881)
ChEBI Ontology
Outgoing Relation(s)
Conioxepinol D (CHEBI:201928) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
methyl (5R,5aS)-5,10,11-trihydroxy-8-methyl-1-oxo-5H-oxepino[4,3-b]chromene-5a-carboxylate
Manual XrefsDatabases
78436788ChemSpider