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CHEBI:182258 - (2R,3R,4S,5S,6R)-2-[3-hydroxy-1-(3-hydroxy-4-methoxyphenyl)-2-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Default Structure
ChEBI IDCHEBI:182258
ChEBI Name(2R,3R,4S,5S,6R)-2-[3-hydroxy-1-(3-hydroxy-4-methoxyphenyl)-2-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O12
Net Charge0
Average Mass538.546
Monoisotopic Mass538.20503
SMILESCOc1ccc(C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(CO)Oc2ccc(/C=C/CO)cc2OC)cc1O
InChIInChI=1S/C26H34O12/c1-34-17-8-6-15(11-16(17)30)25(38-26-24(33)23(32)22(31)20(12-28)37-26)21(13-29)36-18-7-5-14(4-3-9-27)10-19(18)35-2/h3-8,10-11,20-33H,9,12-13H2,1-2H3/b4-3+/t20-,21?,22-,23+,24-,25?,26+/m1/s1
InChIKeyXBTCTDQFKYYTLT-JPNAWLBCSA-N
Species of MetaboliteComponentSourceComments
Cucumis melo (ncbitaxon:3656) seed (BTO:0001226) MetaboLights (MTBLS2993)
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,4S,5S,6R)-2-[3-hydroxy-1-(3-hydroxy-4-methoxyphenyl)-2-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CHEBI:182258) is a glycoside (CHEBI:24400)
IUPAC Name 
(2R,3R,4S,5S,6R)-2-[3-hydroxy-1-(3-hydroxy-4-methoxyphenyl)-2-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
31014590ChemSpider