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CHEBI:41347 - 2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-BENZYL-SUCCINIC ACID

Default Structure
ChEBI IDCHEBI:41347
ChEBI Name2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-BENZYL-SUCCINIC ACID
Stars
DownloadsMolfile
FormulaC19H18O6
Net Charge0
Average Mass342.347
Monoisotopic Mass342.11034
SMILES[H]OC(=O)[C@@]([H])(C([H])([H])c1c([H])c([H])c([H])c([H])c1[H])[C@@]([H])(C(=O)O[H])C([H])([H])c1c([H])c([H])c2c(c1[H])OC([H])([H])O2
InChIInChI=1S/C19H18O6/c20-18(21)14(8-12-4-2-1-3-5-12)15(19(22)23)9-13-6-7-16-17(10-13)25-11-24-16/h1-7,10,14-15H,8-9,11H2,(H,20,21)(H,22,23)/t14-,15-/m0/s1
InChIKeyASEJDWRSZYAIOT-GJZGRUSLSA-N
ChEBI Ontology
Outgoing Relation(s)
2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-BENZYL-SUCCINIC ACID (CHEBI:41347) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-BENZYL-SUCCINIC ACIDPDBeChem
(2S,3S)-2-(1,3-benzodioxol-5-ylmethyl)-3-benzylbutanedioic acidPDBeChem
Manual XrefsDatabases
BYSPDBeChem