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CHEBI:185348 - 3,4,5-trihydroxy-6-{4-[(1E)-3-oxo-3-{4,5,6-trihydroxy-3-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-2-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-3-en-1-yl}prop-1-en-1-yl]phenoxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:185348
ChEBI Name3,4,5-trihydroxy-6-{4-[(1E)-3-oxo-3-{4,5,6-trihydroxy-3-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-2-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-3-en-1-yl}prop-1-en-1-yl]phenoxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H42O22
Net Charge0
Average Mass790.677
Monoisotopic Mass790.21677
SMILESO=C(O)C1OC(Oc2ccc(/C=C/C(=O)C3C(=O)C(C(O)C4OCC(O)C(O)C4O)=C(O)C(O)(C4OC(CO)C(O)C(O)C4O)C3O)cc2)C(O)C(O)C1O
InChIInChI=1S/C33H42O22/c34-7-13-17(38)20(41)24(45)30(54-13)33(51)28(47)14(18(39)15(29(33)48)19(40)26-22(43)16(37)12(36)8-52-26)11(35)6-3-9-1-4-10(5-2-9)53-32-25(46)21(42)23(44)27(55-32)31(49)50/h1-6,12-14,16-17,19-28,30,32,34,36-38,40-48,51H,7-8H2,(H,49,50)/b6-3+
InChIKeyQJKFMWGFSYFKNQ-ZZXKWVIFSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-{4-[(1E)-3-oxo-3-{4,5,6-trihydroxy-3-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-2-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-3-en-1-yl}prop-1-en-1-yl]phenoxy}oxane-2-carboxylic acid (CHEBI:185348) is a glycoside (CHEBI:24400)
IUPAC Name 
3,4,5-trihydroxy-6-[4-[(E)-3-oxo-3-[4,5,6-trihydroxy-3-[hydroxy-(3,4,5-trihydroxyoxan-2-yl)methyl]-2-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-3-en-1-yl]prop-1-enyl]phenoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0128246HMDB