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CHEBI:192003 - Hesperetin 7-neohesperidoside

ChEBI IDCHEBI:192003
ChEBI NameHesperetin 7-neohesperidoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H34O15
Net Charge0
Average Mass610.565
Monoisotopic Mass610.18977
SMILESCOc1ccc(C2CC(=O)c3c(O)cc(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)cc3O2)cc1O
InChIInChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3
InChIKeyARGKVCXINMKCAZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
Hesperetin 7-neohesperidoside (CHEBI:192003) is a flavonoids (CHEBI:72544)
Hesperetin 7-neohesperidoside (CHEBI:192003) is a glycoside (CHEBI:24400)
IUPAC Name 
7-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
Manual XrefsDatabases
HMDB0030748HMDB
203119ChemSpider