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CHEBI:198148 - Xinshengin

ChEBI IDCHEBI:198148
ChEBI NameXinshengin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22O9
Net Charge0
Average Mass406.387
Monoisotopic Mass406.12638
SMILESCOC(=O)[C@]1(OC)C[C@]2(O)C[C@]3(C)OC(=O)c4c(O)cc(OC)cc4C3=C[C@@H]2O1
InChIInChI=1S/C20H22O9/c1-18-8-19(24)9-20(27-4,17(23)26-3)28-14(19)7-12(18)11-5-10(25-2)6-13(21)15(11)16(22)29-18/h5-7,14,21,24H,8-9H2,1-4H3/t14-,18-,19+,20-/m0/s1
InChIKeyJEDPFKKZYDUPHX-GAZPGATBSA-N
Species of MetaboliteComponentSourceComments
Phialophoraspecies (ncbitaxon:1921627) - DOI (10.1016/j.tetlet.2013.06.080)
ChEBI Ontology
Outgoing Relation(s)
Xinshengin (CHEBI:198148) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
methyl (6aS,7aR,9S,10aS)-4,7a-dihydroxy-2,9-dimethoxy-6a-methyl-5-oxo-8,10a-dihydro-7H-[1]benzouro[5,6-c]isochromene-9-carboxylate
Manual XrefsDatabases
29355884ChemSpider