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CHEBI:181033 - (5-Benzoyloxy-4,6-dihydroxy-3-methoxycyclohexen-1-yl)methyl benzoate

ChEBI IDCHEBI:181033
ChEBI Name(5-Benzoyloxy-4,6-dihydroxy-3-methoxycyclohexen-1-yl)methyl benzoate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O7
Net Charge0
Average Mass398.411
Monoisotopic Mass398.13655
SMILESCOC1C=C(COC(=O)c2ccccc2)C(O)C(OC(=O)c2ccccc2)C1O
InChIInChI=1S/C22H22O7/c1-27-17-12-16(13-28-21(25)14-8-4-2-5-9-14)18(23)20(19(17)24)29-22(26)15-10-6-3-7-11-15/h2-12,17-20,23-24H,13H2,1H3
InChIKeyHITZIDGSAVZVQH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
(5-Benzoyloxy-4,6-dihydroxy-3-methoxycyclohexen-1-yl)methyl benzoate (CHEBI:181033) is a benzoate ester (CHEBI:36054)
IUPAC Name 
(5-benzoyloxy-4,6-dihydroxy-3-methoxycyclohexen-1-yl)methyl benzoate
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