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CHEBI:180828 - isorhamnetin 3-rutinoside 4'-rhamnoside

Default Structure
ChEBI IDCHEBI:180828
ChEBI Nameisorhamnetin 3-rutinoside 4'-rhamnoside
Stars
Last Modified13 March 2026
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H42O20
Net Charge0
Average Mass770.690
Monoisotopic Mass770.22694
SMILESCOc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C34H42O20/c1-10-20(37)24(41)27(44)32(49-10)48-9-18-22(39)26(43)29(46)34(53-18)54-31-23(40)19-14(36)7-13(35)8-17(19)51-30(31)12-4-5-15(16(6-12)47-3)52-33-28(45)25(42)21(38)11(2)50-33/h4-8,10-11,18,20-22,24-29,32-39,41-46H,9H2,1-3H3/t10-,11-,18+,20-,21-,22+,24+,25+,26-,27+,28+,29+,32+,33-,34-/m0/s1
InChIKeyYJJATMIYFDTODI-PWLCKQIRSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2150)
ChEBI Ontology
Outgoing Relation(s)
isorhamnetin 3-rutinoside 4'-rhamnoside (CHEBI:180828) is a flavonoids (CHEBI:72544)
isorhamnetin 3-rutinoside 4'-rhamnoside (CHEBI:180828) is a glycoside (CHEBI:24400)
IUPAC Name 
2-{4-[(6-deoxy-α-L-mannopyranosyl)oxy]-3-methoxyphenyl}-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
Manual XrefsDatabases
C00005585KNApSAcK
FDB016886FooDB
HMDB0037748HMDB
LMPK12112358LIPID MAPS
Registry NumbersSources
CAS:81053-13-6CAS