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CHEBI:192914 - Isomollupentin 7-O-glucoside-2''-O-xyloside

ChEBI IDCHEBI:192914
ChEBI NameIsomollupentin 7-O-glucoside-2''-O-xyloside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H36O18
Net Charge0
Average Mass696.611
Monoisotopic Mass696.19016
SMILES[H][C@@]1(c2c(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)OC[C@H](O)[C@H](O)C1O[C@@H]1OC[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C31H36O18/c32-7-18-23(39)25(41)27(43)31(48-18)47-17-6-16-19(12(34)5-15(46-16)10-1-3-11(33)4-2-10)24(40)20(17)28-29(22(38)14(36)8-44-28)49-30-26(42)21(37)13(35)9-45-30/h1-6,13-14,18,21-23,25-33,35-43H,7-9H2/t13-,14+,18?,21+,22+,23-,25+,26?,27?,28+,29?,30+,31-/m1/s1
InChIKeyKRNULZZOBAWHRO-YDOYWMJRSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS3183) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
Isomollupentin 7-O-glucoside-2''-O-xyloside (CHEBI:192914) is a flavonoids (CHEBI:72544)
Isomollupentin 7-O-glucoside-2''-O-xyloside (CHEBI:192914) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[(2S,4S,5S)-4,5-dihydroxy-3-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
LMPK12110294LIPID MAPS
24843348ChemSpider