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CHEBI:55550 - dalnigrein β-D-apiofuranosyl-(1→6)-β-D-glucopyranoside

ChEBI IDCHEBI:55550
ChEBI Namedalnigrein β-D-apiofuranosyl-(1→6)-β-D-glucopyranoside
Stars
ASCII Namedalnigrein beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside
DefinitionA 7-[β-D-apiofuranosyl-(1→6)-β-D-glucopyranosyloxy]isoflavone having four methoxy substituents at the 2'-, 4'-, 5'- and 6-positions.
Last Modified17 November 2016
SubmitterSteve
DownloadsMolfile
FormulaC30H36O16
Net Charge0
Average Mass652.602
Monoisotopic Mass652.20034
SMILESCOc1cc(OC)c(-c2coc3cc(O[C@@H]4O[C@H](CO[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)c(OC)cc3c2=O)cc1OC
InChIInChI=1S/C30H36O16/c1-38-16-7-20(41-4)18(39-2)5-13(16)15-9-42-17-8-21(19(40-3)6-14(17)23(15)32)45-28-26(35)25(34)24(33)22(46-28)10-43-29-27(36)30(37,11-31)12-44-29/h5-9,22,24-29,31,33-37H,10-12H2,1-4H3/t22-,24-,25+,26-,27+,28-,29-,30-/m1/s1
InChIKeyOBZQFWQGMXWKEI-VUYKUYEJSA-N
ChEBI Ontology
Outgoing Relation(s)
dalnigrein β-D-apiofuranosyl-(1→6)-β-D-glucopyranoside (CHEBI:55550) is a 4'-methoxyisoflavones (CHEBI:133959)
dalnigrein β-D-apiofuranosyl-(1→6)-β-D-glucopyranoside (CHEBI:55550) is a 7-[β-D-apiofuranosyl-(1→6)-β-D-glucopyranosyloxy]isoflavone (CHEBI:55464)
IUPAC Name 
6-methoxy-4-oxo-3-(2,4,5-trimethoxyphenyl)-4H-chromen-7-yl 3-C-(hydroxymethyl)-β-D-glycero-tetrofuranosyl-(1→6)-β-D-glucopyranoside
UniProt Name  Source
dalnigrein β-D-apiofuranosyl-(1→6)-β-D-glucopyranosideUniProt