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CHEBI:172344 - Methyl (1S,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate

ChEBI IDCHEBI:172344
ChEBI NameMethyl (1S,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H20O9
Net Charge0
Average Mass368.338
Monoisotopic Mass368.11073
SMILESCOC(=O)[C@@]1(O)CC(OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)C1
InChIInChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13?,15-,17+/m1/s1
InChIKeyMZNIJRAPCCELQX-YYBVPDOUSA-N
ChEBI Ontology
Outgoing Relation(s)
Methyl (1S,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate (CHEBI:172344) is a cinnamate ester (CHEBI:36087)
IUPAC Name 
methyl (1S,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate
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