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CHEBI:197001 - Apigenin 7-neohesperidoside

ChEBI IDCHEBI:197001
ChEBI NameApigenin 7-neohesperidoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O14
Net Charge0
Average Mass578.523
Monoisotopic Mass578.16356
SMILESCC1O[C@@H](OC2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)OC(CO)[C@@H](O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O
InChIInChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10?,18?,20-,21+,22-,23-,24?,25?,26-,27+/m0/s1
InChIKeyRPMNUQRUHXIGHK-IFRYUKCBSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
Apigenin 7-neohesperidoside (CHEBI:197001) is a flavonoids (CHEBI:72544)
Apigenin 7-neohesperidoside (CHEBI:197001) 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-hydroxyphenyl)chromen-4-one
Manual XrefsDatabases
LMPK12110356LIPID MAPS
24843410ChemSpider