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CHEBI:167533 - isovitexin 7-O-galactoside

ChEBI IDCHEBI:167533
ChEBI Nameisovitexin 7-O-galactoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O15
Net Charge0
Average Mass594.522
Monoisotopic Mass594.15847
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
InChIInChI=1S/C27H30O15/c28-7-15-19(32)22(35)24(37)26(40-15)18-14(41-27-25(38)23(36)20(33)16(8-29)42-27)6-13-17(21(18)34)11(31)5-12(39-13)9-1-3-10(30)4-2-9/h1-6,15-16,19-20,22-30,32-38H,7-8H2/t15-,16-,19-,20+,22+,23+,24-,25-,26+,27+/m1/s1
InChIKeyHGUVPEBGCAVWID-MKTWGIEUSA-N
Species of MetaboliteComponentSourceComments
Gomphrena (ncbitaxon:169521) leaf (BTO:0000713) MetaboLights (MTBLS613) Strain: Gomphrena agrestis Mart.
ChEBI Ontology
Outgoing Relation(s)
isovitexin 7-O-galactoside (CHEBI:167533) is a flavonoids (CHEBI:72544)
isovitexin 7-O-galactoside (CHEBI:167533) is a glycoside (CHEBI:24400)
IUPAC Name 
5-hydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
58837930ChemSpider