CHEBI:167533 - isovitexin 7-O-galactoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name isovitexin 7-O-galactoside
ChEBI ID CHEBI:167533
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H30O15
Net Charge 0
Average Mass 594.522
Monoisotopic Mass 594.15847
InChI InChI=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
InChIKey HGUVPEBGCAVWID-MKTWGIEUSA-N
SMILES O1[C@]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)(C2=C(O[C@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO)C=C4OC(=CC(=O)C4=C2O)C5=CC=C(O)C=C5)[H]
Metabolite of Species Details
Gomphrena (NCBI:txid169521) Found in leaf (BTO:0000713). of strain Gomphrena agrestis Mart. See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
58837930 ChemSpider
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