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CHEBI:173285 - Dimethyl (1R*,2S*,3S*)-2-carboxy-3-(3,4-dihydroxyphenyl)-2,3-dihydro-5,6-dihydroxy-1H-indene-1-acetate

Default Structure
ChEBI IDCHEBI:173285
ChEBI NameDimethyl (1R*,2S*,3S*)-2-carboxy-3-(3,4-dihydroxyphenyl)-2,3-dihydro-5,6-dihydroxy-1H-indene-1-acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20O8
Net Charge0
Average Mass388.372
Monoisotopic Mass388.11582
SMILESCOC(=O)CC1c2cc(O)c(O)cc2C(c2ccc(O)c(O)c2)C1C(=O)OC
InChIInChI=1S/C20H20O8/c1-27-17(25)8-12-10-6-15(23)16(24)7-11(10)18(19(12)20(26)28-2)9-3-4-13(21)14(22)5-9/h3-7,12,18-19,21-24H,8H2,1-2H3
InChIKeyCWIZKMYGNOEFKO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Dimethyl (1R*,2S*,3S*)-2-carboxy-3-(3,4-dihydroxyphenyl)-2,3-dihydro-5,6-dihydroxy-1H-indene-1-acetate (CHEBI:173285) is a indanes (CHEBI:46940)
IUPAC Name 
methyl 1-(3,4-dihydroxyphenyl)-5,6-dihydroxy-3-(2-methoxy-2-oxoethyl)-2,3-dihydro-1H-indene-2-carboxylate
Manual XrefsDatabases
35013419ChemSpider
HMDB0031955HMDB