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CHEBI:200368 - (3S)-8-(beta-D-glucopyranosyloxy)-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-3,4-dihydro-6-hydroxy-5-methyl-1H-2-benzopyran-1-one

ChEBI IDCHEBI:200368
ChEBI Name(3S)-8-(beta-D-glucopyranosyloxy)-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-3,4-dihydro-6-hydroxy-5-methyl-1H-2-benzopyran-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28O9
Net Charge0
Average Mass448.468
Monoisotopic Mass448.17333
SMILESC/C=C/C=C/C=C/[C@@H]1Cc2c(C)c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(=O)O1
InChIInChI=1S/C23H28O9/c1-3-4-5-6-7-8-13-9-14-12(2)15(25)10-16(18(14)22(29)30-13)31-23-21(28)20(27)19(26)17(11-24)32-23/h3-8,10,13,17,19-21,23-28H,9,11H2,1-2H3/b4-3+,6-5+,8-7+/t13-,17-,19-,20+,21-,23-/m1/s1
InChIKeyPBPGIYOAFQEVSB-FGRQSESMSA-N
Species of MetaboliteComponentSourceComments
Cephalosporium (ncbitaxon:81097) - DOI (10.1002/hlca.200490261)
ChEBI Ontology
Outgoing Relation(s)
(3S)-8-(beta-D-glucopyranosyloxy)-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-3,4-dihydro-6-hydroxy-5-methyl-1H-2-benzopyran-1-one (CHEBI:200368) is a glycoside (CHEBI:24400)
IUPAC Name 
(3S)-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-6-hydroxy-5-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroisochromen-1-one
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78440823ChemSpider