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CHEBI:177981 - Myricetin 3-neohesperidoside

ChEBI IDCHEBI:177981
ChEBI NameMyricetin 3-neohesperidoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O17
Net Charge0
Average Mass626.520
Monoisotopic Mass626.14830
SMILESCC1O[C@@H](OC2[C@H](Oc3c(-c4cc(O)c(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)OC(CO)[C@@H](O)[C@@H]2O)[C@@H](O)C(O)[C@H]1O
InChIInChI=1S/C27H30O17/c1-7-16(33)20(37)22(39)26(40-7)44-25-21(38)18(35)14(6-28)42-27(25)43-24-19(36)15-10(30)4-9(29)5-13(15)41-23(24)8-2-11(31)17(34)12(32)3-8/h2-5,7,14,16,18,20-22,25-35,37-39H,6H2,1H3/t7?,14?,16-,18+,20?,21-,22-,25?,26-,27-/m0/s1
InChIKeyLUITYVJNCILVDI-NVMXCJJVSA-N
Species of MetaboliteComponentSourceComments
Bombyx mori (ncbitaxon:7091) hemolymph (BTO:0000572) Article
ChEBI Ontology
Outgoing Relation(s)
Myricetin 3-neohesperidoside (CHEBI:177981) is a flavonoids (CHEBI:72544)
Myricetin 3-neohesperidoside (CHEBI:177981) 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-(3,4,5-trihydroxyphenyl)chromen-4-one
Manual XrefsDatabases
LMPK12112455LIPID MAPS
24845143ChemSpider