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CHEBI:182986 - Apigenin 7-cellobioside-4'-glucoside

ChEBI IDCHEBI:182986
ChEBI NameApigenin 7-cellobioside-4'-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40O20
Net Charge0
Average Mass756.663
Monoisotopic Mass756.21129
SMILESO=c1cc(-c2ccc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)cc2)oc2cc(O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@H](O)C3O)cc(O)c12
InChIInChI=1S/C33H40O20/c34-8-18-22(39)24(41)27(44)31(50-18)47-12-3-1-11(2-4-12)16-7-15(38)21-14(37)5-13(6-17(21)49-16)48-32-29(46)26(43)30(20(10-36)52-32)53-33-28(45)25(42)23(40)19(9-35)51-33/h1-7,18-20,22-37,39-46H,8-10H2/t18?,19?,20?,22-,23-,24+,25+,26-,27?,28?,29?,30-,31-,32-,33+/m1/s1
InChIKeyNVYCRSROJRTVQP-TZTBGMMXSA-N
Species of MetaboliteComponentSourceComments
Cucumis melo (ncbitaxon:3656) seed (BTO:0001226) MetaboLights (MTBLS2993)
ChEBI Ontology
Outgoing Relation(s)
Apigenin 7-cellobioside-4'-glucoside (CHEBI:182986) is a flavonoids (CHEBI:72544)
Apigenin 7-cellobioside-4'-glucoside (CHEBI:182986) is a glycoside (CHEBI:24400)
IUPAC Name 
7-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-[4-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
Manual XrefsDatabases
LMPK12110395LIPID MAPS
24843449ChemSpider