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CHEBI:186553 - Noranhydroicaritin 3-rhamnosyl-(1->2)-rhamnoside

ChEBI IDCHEBI:186553
ChEBI NameNoranhydroicaritin 3-rhamnosyl-(1->2)-rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H38O14
Net Charge0
Average Mass646.642
Monoisotopic Mass646.22616
SMILESCC(C)=CCc1c(O)cc(O)c2c(=O)c(O[C@@H]3OC(C)[C@H](O)C(O)[C@@H]3O[C@@H]3OC(C)[C@H](O)C(O)[C@@H]3O)c(-c3ccc(O)cc3)oc12
InChIInChI=1S/C32H38O14/c1-12(2)5-10-17-18(34)11-19(35)20-23(38)29(27(44-28(17)20)15-6-8-16(33)9-7-15)45-32-30(25(40)22(37)14(4)43-32)46-31-26(41)24(39)21(36)13(3)42-31/h5-9,11,13-14,21-22,24-26,30-37,39-41H,10H2,1-4H3/t13?,14?,21-,22-,24?,25?,26-,30-,31-,32-/m0/s1
InChIKeyZRCODBBSMJOEAY-UQSYPMJCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Noranhydroicaritin 3-rhamnosyl-(1->2)-rhamnoside (CHEBI:186553) is a flavonoids (CHEBI:72544)
Noranhydroicaritin 3-rhamnosyl-(1->2)-rhamnoside (CHEBI:186553) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[(2S,3S,5R)-4,5-dihydroxy-6-methyl-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
Manual XrefsDatabases
LMPK12111714LIPID MAPS
24844458ChemSpider