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CHEBI:184850 - [4-(3-{3,5-dihydroxy-4-[(1E)-3-methylbut-1-en-1-yl]phenyl}oxiran-2-yl)phenyl]oxidanesulfonic acid

ChEBI IDCHEBI:184850
ChEBI Name[4-(3-{3,5-dihydroxy-4-[(1E)-3-methylbut-1-en-1-yl]phenyl}oxiran-2-yl)phenyl]oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20O7S
Net Charge0
Average Mass392.429
Monoisotopic Mass392.09297
SMILESCC(C)/C=C/c1c(O)cc(C2OC2c2ccc(OS(=O)(=O)O)cc2)cc1O
InChIInChI=1S/C19H20O7S/c1-11(2)3-8-15-16(20)9-13(10-17(15)21)19-18(25-19)12-4-6-14(7-5-12)26-27(22,23)24/h3-11,18-21H,1-2H3,(H,22,23,24)/b8-3+
InChIKeyLBWCTTKDRRZYLF-FPYGCLRLSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
[4-(3-{3,5-dihydroxy-4-[(1E)-3-methylbut-1-en-1-yl]phenyl}oxiran-2-yl)phenyl]oxidanesulfonic acid (CHEBI:184850) is a stilbenoid (CHEBI:26776)
IUPAC Name 
[4-[3-[3,5-dihydroxy-4-[(E)-3-methylbut-1-enyl]phenyl]oxiran-2-yl]phenyl] hydrogen sulate
Manual XrefsDatabases
74852421ChemSpider
HMDB0129018HMDB