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CHEBI:43582 - ISOCHORISMATE

Default Structure
ChEBI IDCHEBI:43582
ChEBI NameISOCHORISMATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC10H10O6
Net Charge0
Average Mass226.184
Monoisotopic Mass226.04774
SMILES[H]OC(=O)C(OC1=C([H])C([H])=C([H])[C@]([H])(C(=O)O[H])[C@]1([H])O[H])=C([H])[H]
InChIInChI=1S/C10H10O6/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4,6,8,11H,1H2,(H,12,13)(H,14,15)/t6-,8-/m0/s1
InChIKeyQRKPDBWHNQBKDO-XPUUQOCRSA-N
ChEBI Ontology
Outgoing Relation(s)
ISOCHORISMATE (CHEBI:43582) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(1S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-2,4-diene-1-carboxylic acidPDBeChem
ISOCHORISMATEPDBeChem
Manual XrefsDatabases
ISCPDBeChem