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CHEBI:136613 - Apigenin-6-C-glucosyl-8-C-arabinoside

ChEBI IDCHEBI:136613
ChEBI NameApigenin-6-C-glucosyl-8-C-arabinoside
Stars
Last Modified22 March 2017
SubmitterKeeva
DownloadsMolfile
FormulaC32H38O19
Net Charge0
Average Mass726.637
Monoisotopic Mass726.20073
SMILESO=c1cc(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)oc2c(C3O[C@H](CO)[C@@H](O)[C@@H]3O)c(O)c(C3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
InChIInChI=1S/C32H38O19/c33-6-13-19(37)24(42)27(45)30(49-13)17-22(40)16-11(36)5-12(48-29(16)18(23(17)41)31-26(44)21(39)14(7-34)50-31)9-1-3-10(4-2-9)47-32-28(46)25(43)20(38)15(8-35)51-32/h1-5,13-15,19-21,24-28,30-35,37-46H,6-8H2/t13-,14-,15-,19-,20-,21-,24+,25+,26+,27-,28-,30?,31?,32-/m1/s1
InChIKeyLXRDQACNDLNSQJ-RCNVSCNCSA-N
ChEBI Ontology
Outgoing Relation(s)
Apigenin-6-C-glucosyl-8-C-arabinoside (CHEBI:136613) is a flavonoids (CHEBI:72544)
Apigenin-6-C-glucosyl-8-C-arabinoside (CHEBI:136613) is a glycoside (CHEBI:24400)
IUPAC Name 
8-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,7-dihydroxy-6-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one
Synonym  Source
APIGENIN-4,6-C-GLUCOSYL-8-C-ARABINOSIDEChEBI