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CHEBI:180729 - Peonidin 3-rhamnoside 5-glucoside

Default Structure
ChEBI IDCHEBI:180729
ChEBI NamePeonidin 3-rhamnoside 5-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H33O15
Net Charge+1
Average Mass609.557
Monoisotopic Mass609.18140
SMILESCOc1cc(-c2[o+]c3cc(O)cc(OC4OC(CO)C(O)C(O)C4O)c3cc2OC2OC(C)C(O)C(O)C2O)ccc1O
InChIInChI=1S/C28H32O15/c1-10-20(32)22(34)24(36)27(39-10)42-18-8-13-15(40-26(18)11-3-4-14(31)17(5-11)38-2)6-12(30)7-16(13)41-28-25(37)23(35)21(33)19(9-29)43-28/h3-8,10,19-25,27-29,32-37H,9H2,1-2H3,(H-,30,31)/p+1
InChIKeyLYMZDGGLEMJUEK-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood serum (BTO:0000133) MetaboLights (MTBLS2150)
blood serum (BTO:0000133) MetaboLights (MTBLS2150)
blood serum (BTO:0000133) MetaboLights (MTBLS2150)
ChEBI Ontology
Outgoing Relation(s)
Peonidin 3-rhamnoside 5-glucoside (CHEBI:180729) is a anthocyanidin glycoside (CHEBI:71583)
IUPAC Name 
2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-6-methyloxane-3,4,5-triol
Manual XrefsDatabases
HMDB0038090HMDB