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CHEBI:197202 - Chalconaringenin 2'-O-glucoside 4'-O-gentobioside

ChEBI IDCHEBI:197202
ChEBI NameChalconaringenin 2'-O-glucoside 4'-O-gentobioside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H42O20
Net Charge0
Average Mass758.679
Monoisotopic Mass758.22694
SMILESO=C(/C=C/c1ccc(O)cc1)c1c(O)cc(O[C@@H]2OC(CO[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)[C@@H](O)[C@H](O)C2O)cc1O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C33H42O20/c34-9-18-22(39)25(42)28(45)31(51-18)48-11-20-24(41)27(44)29(46)32(53-20)49-14-7-16(38)21(15(37)6-3-12-1-4-13(36)5-2-12)17(8-14)50-33-30(47)26(43)23(40)19(10-35)52-33/h1-8,18-20,22-36,38-47H,9-11H2/b6-3+/t18?,19?,20?,22-,23-,24-,25+,26+,27+,28?,29?,30?,31-,32-,33-/m1/s1
InChIKeyVTFGBUPKGZVIHW-IAVAKCGNSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
Chalconaringenin 2'-O-glucoside 4'-O-gentobioside (CHEBI:197202) is a flavonoids (CHEBI:72544)
Chalconaringenin 2'-O-glucoside 4'-O-gentobioside (CHEBI:197202) is a glycoside (CHEBI:24400)
IUPAC Name 
(E)-3-(4-hydroxyphenyl)-1-[2-hydroxy-6-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]prop-2-en-1-one
Manual XrefsDatabases
24845978ChemSpider
LMPK12120255LIPID MAPS