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CHEBI:181904 - [3,4,5-Trihydroxy-6-[2-(3-hydroxy-5-oxooxolan-3-yl)propoxy]oxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

ChEBI IDCHEBI:181904
ChEBI Name[3,4,5-Trihydroxy-6-[2-(3-hydroxy-5-oxooxolan-3-yl)propoxy]oxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O12
Net Charge0
Average Mass484.454
Monoisotopic Mass484.15808
SMILESCC(COC1OC(COC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1O)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
InChIKeyYNPOIPFNQJKGQJ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
[3,4,5-Trihydroxy-6-[2-(3-hydroxy-5-oxooxolan-3-yl)propoxy]oxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate (CHEBI:181904) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
[3,4,5-trihydroxy-6-[2-(3-hydroxy-5-oxooxolan-3-yl)propoxy]oxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate