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

ChEBI IDCHEBI:180828
ChEBI NameIsorhamnetin 3-rutinoside 4'-rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H42O20
Net Charge0
Average Mass770.690
Monoisotopic Mass770.22694
SMILESCOc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)ccc1OC1OC(C)C(O)C(O)C1O
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
InChIKeyYJJATMIYFDTODI-UHFFFAOYSA-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 
5,7-dihydroxy-2-[3-methoxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
HMDB0037748HMDB