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CHEBI:196995 - Kaempferol 4'-methyl ether 3-neohesperidoside

ChEBI IDCHEBI:196995
ChEBI NameKaempferol 4'-methyl ether 3-neohesperidoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O15
Net Charge0
Average Mass608.549
Monoisotopic Mass608.17412
SMILESCOc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O[C@@H]2OC(C)[C@H](O)C(O)[C@@H]2O)cc1
InChIInChI=1S/C28H32O15/c1-10-18(32)21(35)23(37)27(39-10)43-26-22(36)19(33)16(9-29)41-28(26)42-25-20(34)17-14(31)7-12(30)8-15(17)40-24(25)11-3-5-13(38-2)6-4-11/h3-8,10,16,18-19,21-23,26-33,35-37H,9H2,1-2H3/t10?,16?,18-,19+,21?,22-,23-,26?,27-,28-/m0/s1
InChIKeyBZRYTCVZZLOPIO-BPEQWIGQSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
Kaempferol 4'-methyl ether 3-neohesperidoside (CHEBI:196995) is a flavonoids (CHEBI:72544)
Kaempferol 4'-methyl ether 3-neohesperidoside (CHEBI:196995) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
Manual XrefsDatabases
24843595ChemSpider
LMPK12110557LIPID MAPS