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CHEBI:168755 - {4-[(1E)-3-hydroxy-3-(2,4,6-trihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-1-en-1-yl]phenyl}oxidanesulfonic acid

ChEBI IDCHEBI:168755
ChEBI Name{4-[(1E)-3-hydroxy-3-(2,4,6-trihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-1-en-1-yl]phenyl}oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O14S
Net Charge0
Average Mass532.476
Monoisotopic Mass532.08868
SMILESO=S(=O)(O)Oc1ccc(/C=C/C(O)c2c(O)cc(O)c(OC3OC(CO)C(O)C(O)C3O)c2O)cc1
InChIInChI=1S/C21H24O14S/c22-8-14-16(26)18(28)19(29)21(33-14)34-20-13(25)7-12(24)15(17(20)27)11(23)6-3-9-1-4-10(5-2-9)35-36(30,31)32/h1-7,11,14,16,18-19,21-29H,8H2,(H,30,31,32)/b6-3+
InChIKeyFKXUZOTYOMTOGM-ZZXKWVIFSA-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)
{4-[(1E)-3-hydroxy-3-(2,4,6-trihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-1-en-1-yl]phenyl}oxidanesulfonic acid (CHEBI:168755) is a flavonoids (CHEBI:72544)
{4-[(1E)-3-hydroxy-3-(2,4,6-trihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-1-en-1-yl]phenyl}oxidanesulfonic acid (CHEBI:168755) is a glycoside (CHEBI:24400)
IUPAC Name 
[4-[(E)-3-hydroxy-3-[2,4,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-1-enyl]phenyl] hydrogen sulate
Manual XrefsDatabases
HMDB0134824HMDB