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

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ChEBI Name dalnigrein β-D-apiofuranosyl-(1→6)-β-D-glucopyranoside
ChEBI ID CHEBI:55550
ChEBI ASCII Name dalnigrein beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside
Definition A 7-[β-D-apiofuranosyl-(1→6)-β-D-glucopyranosyloxy]isoflavone having four methoxy substituents at the 2'-, 4'-, 5'- and 6-positions.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H36O16
Net Charge 0
Average Mass 652.59720
Monoisotopic Mass 652.20034
InChI InChI=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
InChIKey OBZQFWQGMXWKEI-VUYKUYEJSA-N
SMILES COc1cc(OC)c(cc1OC)-c1coc2cc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2c1=O
ChEBI Ontology
Outgoing 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
Synonym Source
dalnigrein β-D-apiofuranosyl-(1→6)-β-D-glucopyranoside UniProt
Last Modified
17 November 2016