EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:197684 - (3S)-8-[(6-O-acetyl-beta-D-glucopyranosyl)oxy]-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-3,4-dihydro-6-methoxy-5-methyl-1H-2-benzopyran-1-one

ChEBI IDCHEBI:197684
ChEBI Name(3S)-8-[(6-O-acetyl-beta-D-glucopyranosyl)oxy]-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-3,4-dihydro-6-methoxy-5-methyl-1H-2-benzopyran-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32O10
Net Charge0
Average Mass504.532
Monoisotopic Mass504.19955
SMILESC/C=C/C=C/C=C/[C@@H]1Cc2c(C)c(OC)cc(O[C@@H]3O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]3O)c2C(=O)O1
InChIInChI=1S/C26H32O10/c1-5-6-7-8-9-10-16-11-17-14(2)18(32-4)12-19(21(17)25(31)34-16)35-26-24(30)23(29)22(28)20(36-26)13-33-15(3)27/h5-10,12,16,20,22-24,26,28-30H,11,13H2,1-4H3/b6-5+,8-7+,10-9+/t16-,20-,22-,23+,24-,26-/m1/s1
InChIKeyHFNVEOAKDZDOHA-FXHUFLIJSA-N
Species of MetaboliteComponentSourceComments
Cephalosporium (ncbitaxon:81097) - DOI (10.1002/hlca.200490261)
ChEBI Ontology
Outgoing Relation(s)
(3S)-8-[(6-O-acetyl-beta-D-glucopyranosyl)oxy]-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-3,4-dihydro-6-methoxy-5-methyl-1H-2-benzopyran-1-one (CHEBI:197684) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2R,3S,4S,5R,6S)-6-[[(3S)-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-6-methoxy-5-methyl-1-oxo-3,4-dihydroisochromen-8-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Manual XrefsDatabases
78440687ChemSpider