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CHEBI:214588 - Setosphacohol A

ChEBI IDCHEBI:214588
ChEBI NameSetosphacohol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O7
Net Charge0
Average Mass326.345
Monoisotopic Mass326.13655
SMILESCCC[C@H](O)C[C@H]1OC(=O)c2c(cc(OC)c(OC)c2O)[C@@H]1O
InChIInChI=1S/C16H22O7/c1-4-5-8(17)6-10-13(18)9-7-11(21-2)15(22-3)14(19)12(9)16(20)23-10/h7-8,10,13,17-19H,4-6H2,1-3H3/t8-,10+,13-/m0/s1
InChIKeyYVVVQBLWJYKSII-PLMOITTCSA-N
Species of MetaboliteComponentSourceComments
Exserohilumspecies (ncbitaxon:1868163) - DOI (10.1007/s10600-020-03155-3)
ChEBI Ontology
Outgoing Relation(s)
Setosphacohol A (CHEBI:214588) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3R,4S)-4,8-dihydroxy-3-[(2S)-2-hydroxypentyl]-6,7-dimethoxy-3,4-dihydroisochromen-1-one