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CHEBI:168150 - Myricetin 3-robinobioside

ChEBI IDCHEBI:168150
ChEBI NameMyricetin 3-robinobioside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O17
Net Charge0
Average Mass626.520
Monoisotopic Mass626.14830
SMILESCC1O[C@@H](OCC2O[C@@H](Oc3c(-c4cc(O)c(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)[C@H]2O)C(O)[C@@H](O)[C@H]1O
InChIInChI=1S/C27H30O17/c1-7-16(32)20(36)22(38)26(41-7)40-6-14-18(34)21(37)23(39)27(43-14)44-25-19(35)15-10(29)4-9(28)5-13(15)42-24(25)8-2-11(30)17(33)12(31)3-8/h2-5,7,14,16,18,20-23,26-34,36-39H,6H2,1H3/t7?,14?,16-,18-,20-,21?,22?,23?,26+,27-/m0/s1
InChIKeyQCIILLDRJZPUDI-PECTUGBTSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Myricetin 3-robinobioside (CHEBI:168150) is a flavonoids (CHEBI:72544)
Myricetin 3-robinobioside (CHEBI:168150) is a glycoside (CHEBI:24400)
IUPAC Name 
5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-[(2S,5R)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
LMPK12112413LIPID MAPS
24845103ChemSpider