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CHEBI:184854 - Pinocembrin 7-apiosyl-(1->5)-apiosyl-(1->2)-glucoside

ChEBI IDCHEBI:184854
ChEBI NamePinocembrin 7-apiosyl-(1->5)-apiosyl-(1->2)-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H38O17
Net Charge0
Average Mass682.628
Monoisotopic Mass682.21090
SMILESO=C1CC(c2ccccc2)Oc2cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O[C@@H]3OCC(O)(CO[C@@H]4OCC(O)(CO)[C@@H]4O)[C@@H]3O)cc(O)c21
InChIInChI=1S/C31H38O17/c32-9-20-22(36)23(37)24(48-29-26(39)31(41,13-44-29)12-43-28-25(38)30(40,10-33)11-42-28)27(47-20)45-15-6-16(34)21-17(35)8-18(46-19(21)7-15)14-4-2-1-3-5-14/h1-7,18,20,22-29,32-34,36-41H,8-13H2/t18?,20?,22-,23+,24?,25-,26-,27-,28+,29+,30?,31?/m1/s1
InChIKeyOGHKMYABKJLKTL-RIEBUXQRSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Pinocembrin 7-apiosyl-(1->5)-apiosyl-(1->2)-glucoside (CHEBI:184854) is a flavonoids (CHEBI:72544)
Pinocembrin 7-apiosyl-(1->5)-apiosyl-(1->2)-glucoside (CHEBI:184854) is a glycoside (CHEBI:24400)
IUPAC Name 
7-[(2S,4S,5S)-3-[(2S,3S)-4-[[(2S,3S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
Manual XrefsDatabases
24846300ChemSpider
LMPK12140145LIPID MAPS