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CHEBI:43519 - 5-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)-4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID

Default Structure
ChEBI IDCHEBI:43519
ChEBI Name5-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)-4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC22H19NO8
Net Charge0
Average Mass425.393
Monoisotopic Mass425.11107
SMILES[H]OC(=O)c1noc(-c2c([H])c([H])c([H])c(/C([H])=C(\[H])C([H])([H])Oc3c([H])c([H])c([H])c(O[H])c3C(=O)OC([H])([H])[H])c2[H])c1C([H])([H])O[H]
InChIInChI=1S/C22H19NO8/c1-29-22(28)18-16(25)8-3-9-17(18)30-10-4-6-13-5-2-7-14(11-13)20-15(12-24)19(21(26)27)23-31-20/h2-9,11,24-25H,10,12H2,1H3,(H,26,27)/b6-4+
InChIKeyDQSRCEFDWMQCCV-GQCTYLIASA-N
ChEBI Ontology
Outgoing Relation(s)
5-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)-4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID (CHEBI:43519) is a unclassifieds (CHEBI:27189)
Synonyms  Source
5-(3-{(1E)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]prop-1-en-1-yl}phenyl)-4-(hydroxymethyl)isoxazole-3-carboxylic acidPDBeChem
5-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)-4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACIDPDBeChem
Manual XrefsDatabases
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