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CHEBI:166629 - Jaceidin 7-neohesperidoside

ChEBI IDCHEBI:166629
ChEBI NameJaceidin 7-neohesperidoside
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H36O17
Net Charge0
Average Mass668.601
Monoisotopic Mass668.19525
SMILESCOc1cc(-c2oc3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O[C@@H]4OC(C)[C@H](O)[C@H](O)C4O)c(OC)c(O)c3c(=O)c2OC)ccc1O
InChIInChI=1S/C30H36O17/c1-10-18(33)22(37)24(39)29(43-10)47-28-23(38)19(34)16(9-31)46-30(28)45-15-8-14-17(20(35)26(15)41-3)21(36)27(42-4)25(44-14)11-5-6-12(32)13(7-11)40-2/h5-8,10,16,18-19,22-24,28-35,37-39H,9H2,1-4H3/t10?,16?,18-,19+,22-,23-,24?,28?,29-,30+/m0/s1
InChIKeyHZEWHESQZMJCAC-YZMAUXSESA-N
ChEBI Ontology
Outgoing Relation(s)
Jaceidin 7-neohesperidoside (CHEBI:166629) is a flavonoids (CHEBI:72544)
Jaceidin 7-neohesperidoside (CHEBI:166629) is a glycoside (CHEBI:24400)
IUPAC Name 
7-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxychromen-4-one
Manual XrefsDatabases
24845529ChemSpider
LMPK12112932LIPID MAPS