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CHEBI:174940 - 4R,5R,6S-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one 6-(2-hydroxy-6-methylbenzoate)

ChEBI IDCHEBI:174940
ChEBI Name4R,5R,6S-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one 6-(2-hydroxy-6-methylbenzoate)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16O7
Net Charge0
Average Mass308.286
Monoisotopic Mass308.08960
SMILESCc1cccc(O)c1C(=O)OC1C(=O)C(CO)=CC(O)C1O
InChIInChI=1S/C15H16O7/c1-7-3-2-4-9(17)11(7)15(21)22-14-12(19)8(6-16)5-10(18)13(14)20/h2-5,10,13-14,16-18,20H,6H2,1H3
InChIKeyZJIDZZXKQOJXMR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4R,5R,6S-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one 6-(2-hydroxy-6-methylbenzoate) (CHEBI:174940) has functional parent salicylic acid (CHEBI:16914)
4R,5R,6S-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one 6-(2-hydroxy-6-methylbenzoate) (CHEBI:174940) is a benzoate ester (CHEBI:36054)
4R,5R,6S-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one 6-(2-hydroxy-6-methylbenzoate) (CHEBI:174940) is a phenols (CHEBI:33853)
IUPAC Name 
[5,6-dihydroxy-3-(hydroxymethyl)-2-oxocyclohex-3-en-1-yl] 2-hydroxy-6-methylbenzoate
Manual XrefsDatabases
20057935ChemSpider
HMDB0040692HMDB