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CHEBI:183876 - [(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[2-(3-hydroxy-5-oxooxolan-3-yl)propoxy]oxan-2-yl]methyl (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

ChEBI IDCHEBI:183876
ChEBI Name[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[2-(3-hydroxy-5-oxooxolan-3-yl)propoxy]oxan-2-yl]methyl (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O12
Net Charge0
Average Mass484.454
Monoisotopic Mass484.15808
SMILESCC(CO[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O)C1(O)COC(=O)C1
InChIInChI=1S/C22H28O12/c1-11(22(30)7-17(26)33-10-22)8-32-21-20(29)19(28)18(27)15(34-21)9-31-16(25)5-3-12-2-4-13(23)14(24)6-12/h2-6,11,15,18-21,23-24,27-30H,7-10H2,1H3/b5-3+/t11?,15-,18-,19+,20-,21-,22?/m1/s1
InChIKeyYNPOIPFNQJKGQJ-SALKWGHLSA-N
Species of MetaboliteComponentSourceComments
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[2-(3-hydroxy-5-oxooxolan-3-yl)propoxy]oxan-2-yl]methyl (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate (CHEBI:183876) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(3-hydroxy-5-oxooxolan-3-yl)propoxy]oxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
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