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CHEBI:192882 - Scoparin 2''-xyloside

ChEBI IDCHEBI:192882
ChEBI NameScoparin 2''-xyloside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O15
Net Charge0
Average Mass594.522
Monoisotopic Mass594.15847
SMILESCOc1cc(-c2cc(=O)c3c(O)cc(O)c(C4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)c3o2)ccc1O
InChIInChI=1S/C27H30O15/c1-38-16-4-9(2-3-10(16)29)15-6-13(32)18-11(30)5-12(31)19(24(18)40-15)25-26(22(36)21(35)17(7-28)41-25)42-27-23(37)20(34)14(33)8-39-27/h2-6,14,17,20-23,25-31,33-37H,7-8H2,1H3
InChIKeyZMXRYFUILUMXHH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS4099) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
Scoparin 2''-xyloside (CHEBI:192882) is a C-glycosyl compound (CHEBI:20857)
Scoparin 2''-xyloside (CHEBI:192882) is a flavonoids (CHEBI:72544)
IUPAC Name 
8-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
Manual XrefsDatabases
HMDB0038814HMDB