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CHEBI:191634 - Neoliquiritin 2''-apioside

ChEBI IDCHEBI:191634
ChEBI NameNeoliquiritin 2''-apioside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O13
Net Charge0
Average Mass550.513
Monoisotopic Mass550.16864
SMILESO=C1CC(c2ccc(O)cc2)Oc2cc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)ccc21
InChIInChI=1S/C26H30O13/c27-9-19-20(31)21(32)22(39-25-23(33)26(34,10-28)11-35-25)24(38-19)36-14-5-6-15-16(30)8-17(37-18(15)7-14)12-1-3-13(29)4-2-12/h1-7,17,19-25,27-29,31-34H,8-11H2
InChIKeyNLALNSGFXCKLLY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Neoliquiritin 2''-apioside (CHEBI:191634) is a flavonoids (CHEBI:72544)
Neoliquiritin 2''-apioside (CHEBI:191634) is a glycoside (CHEBI:24400)
IUPAC Name 
7-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Manual XrefsDatabases
HMDB0040544HMDB