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CHEBI:167532 - isovitexin 2''-O-beta-D-glucosyl 7-O-galactoside

Default Structure
ChEBI IDCHEBI:167532
ChEBI Nameisovitexin 2''-O-beta-D-glucosyl 7-O-galactoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40O20
Net Charge0
Average Mass756.663
Monoisotopic Mass756.21129
SMILES[H][C@@]1(c2c(O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C33H40O20/c34-7-16-23(41)27(45)31(53-33-29(47)26(44)22(40)18(9-36)52-33)30(49-16)20-15(50-32-28(46)25(43)21(39)17(8-35)51-32)6-14-19(24(20)42)12(38)5-13(48-14)10-1-3-11(37)4-2-10/h1-6,16-18,21-23,25-37,39-47H,7-9H2/t16-,17-,18-,21+,22-,23-,25+,26+,27+,28-,29-,30+,31-,32+,33+/m1/s1
InChIKeyHCMCYDZSIBHFMM-ZPWJFTFMSA-N
Species of MetaboliteComponentSourceComments
Gomphrena (ncbitaxon:169521) leaf (BTO:0000713) MetaboLights (MTBLS613) Strain: Gomphrena agrestis Mart.
ChEBI Ontology
Outgoing Relation(s)
isovitexin 2''-O-beta-D-glucosyl 7-O-galactoside (CHEBI:167532) is a flavonoids (CHEBI:72544)
isovitexin 2''-O-beta-D-glucosyl 7-O-galactoside (CHEBI:167532) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
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