CHEBI:186380 - Vitexin 4'-O-glucoside-2''-O-rhamnoside

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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 Vitexin 4'-O-glucoside-2''-O-rhamnoside
ChEBI ID CHEBI:186380
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H40O19
Net Charge 0
Average Mass 740.664
Monoisotopic Mass 740.21638
InChI InChI=1S/C33H40O19/c1-10-21(39)24(42)27(45)32(47-10)52-31-26(44)23(41)17(8-34)50-30(31)20-14(37)6-13(36)19-15(38)7-16(49-29(19)20)11-2-4-12(5-3-11)48-33-28(46)25(43)22(40)18(9-35)51-33/h2-7,10,17-18,21-28,30-37,39-46H,8-9H2,1H3/t10?,17?,18?,21-,22+,23+,24-,25?,26-,27?,28?,30-,31?,32-,33+/m0/s1
InChIKey LJDOSKINEPZMJE-OKNFIAIGSA-N
SMILES O(C1[C@@H](O)[C@H](O)C(O[C@]1(C=2C=3OC(=CC(=O)C3C(O)=CC2O)C4=CC=C(O[C@@H]5OC([C@@H](O)C(O)C5O)CO)C=C4)[H])CO)[C@@H]6OC([C@H](O)[C@H](O)C6O)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Vitexin 4'-O-glucoside-2''-O-rhamnoside (CHEBI:186380) is a flavonoids (CHEBI:72544)
Vitexin 4'-O-glucoside-2''-O-rhamnoside (CHEBI:186380) is a glycoside (CHEBI:24400)
IUPAC Name
8-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-[4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
Manual Xrefs Databases
24843353 ChemSpider
LMPK12110299 LIPID MAPS
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