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CHEBI:168001 - Estragonoside

ChEBI IDCHEBI:168001
ChEBI NameEstragonoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O12
Net Charge0
Average Mass478.406
Monoisotopic Mass478.11113
SMILESCOc1cc(-c2cc(=O)c3c(O)c(O)c(O)c(OC4OC(C)C(O)C(O)C4O)c3o2)ccc1O
InChIInChI=1S/C22H22O12/c1-7-14(25)16(27)19(30)22(32-7)34-21-18(29)17(28)15(26)13-10(24)6-11(33-20(13)21)8-3-4-9(23)12(5-8)31-2/h3-7,14,16,19,22-23,25-30H,1-2H3
InChIKeyHOQOGRHHARLRBG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Estragonoside (CHEBI:168001) is a flavonoids (CHEBI:72544)
Estragonoside (CHEBI:168001) is a glycoside (CHEBI:24400)
IUPAC Name 
5,6,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
Manual XrefsDatabases
HMDB0033650HMDB