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CHEBI:226568 - (8S,9R)-1,9-dihydroxy-8-(2-hydroxypropan-2-yl)-4-methoxy-5-methyl-1,7,8,9-tetrahydrouro[3,4-]chromen-3-one

ChEBI IDCHEBI:226568
ChEBI Name(8S,9R)-1,9-dihydroxy-8-(2-hydroxypropan-2-yl)-4-methoxy-5-methyl-1,7,8,9-tetrahydrouro[3,4-]chromen-3-one
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O7
Net Charge0
Average Mass324.329
Monoisotopic Mass324.12090
SMILESCOc1c(C)c2c(c3c1C(=O)OC3O)[C@H](O)[C@@H](C(C)(C)O)CO2
InChIInChI=1S/C16H20O7/c1-6-12(21-4)10-8(14(18)23-15(10)19)9-11(17)7(16(2,3)20)5-22-13(6)9/h7,11,14,17-18,20H,5H2,1-4H3/t7-,11+,14?/m0/s1
InChIKeyHPUVYIYNRKEMMI-HHBMARQNSA-N
Species of MetaboliteComponentSourceComments
Aspergillus duricaulis (ncbitaxon:75552) - DOI (10.1016/s0040-4039(00)85680-4)
ChEBI Ontology
Outgoing Relation(s)
(8S,9R)-1,9-dihydroxy-8-(2-hydroxypropan-2-yl)-4-methoxy-5-methyl-1,7,8,9-tetrahydrouro[3,4-]chromen-3-one (CHEBI:226568) is a benzofurans (CHEBI:35259)
IUPAC Name 
(8S,9R)-1,9-dihydroxy-8-(2-hydroxypropan-2-yl)-4-methoxy-5-methyl-1,7,8,9-tetrahydrouro[3,4-]chromen-3-one
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78439968ChemSpider