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CHEBI:197135 - Scoparin 6''-O-glucoside

ChEBI IDCHEBI:197135
ChEBI NameScoparin 6''-O-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O16
Net Charge0
Average Mass624.548
Monoisotopic Mass624.16903
SMILES[H][C@@]1(c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)c(OC)c4)oc23)OC(CO[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C28H32O16/c1-40-15-4-9(2-3-10(15)30)14-6-13(33)18-11(31)5-12(32)19(26(18)42-14)27-24(38)22(36)21(35)17(43-27)8-41-28-25(39)23(37)20(34)16(7-29)44-28/h2-6,16-17,20-25,27-32,34-39H,7-8H2,1H3/t16?,17?,20-,21-,22+,23+,24?,25?,27+,28-/m1/s1
InChIKeyHLDFVQBORWFGAX-FPLGPEGNSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
Scoparin 6''-O-glucoside (CHEBI:197135) is a C-glycosyl compound (CHEBI:20857)
Scoparin 6''-O-glucoside (CHEBI:197135) is a flavonoids (CHEBI:72544)
IUPAC Name 
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-[(2S,4R,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]chromen-4-one
Manual XrefsDatabases
LMPK12110760LIPID MAPS
24843783ChemSpider