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CHEBI:187173 - 3,4,5-trihydroxy-6-{[(2Z)-2-(phenylmethylidene)heptyl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:187173
ChEBI Name3,4,5-trihydroxy-6-{[(2Z)-2-(phenylmethylidene)heptyl]oxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O7
Net Charge0
Average Mass380.437
Monoisotopic Mass380.18350
SMILESCCCCC/C(=C/c1ccccc1)COC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C20H28O7/c1-2-3-5-10-14(11-13-8-6-4-7-9-13)12-26-20-17(23)15(21)16(22)18(27-20)19(24)25/h4,6-9,11,15-18,20-23H,2-3,5,10,12H2,1H3,(H,24,25)/b14-11-
InChIKeyHCXGDBGBKRCEJH-KAMYIIQDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-{[(2Z)-2-(phenylmethylidene)heptyl]oxy}oxane-2-carboxylic acid (CHEBI:187173) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
6-[(2Z)-2-benzylideneheptoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0126521HMDB