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CHEBI:44213 - 7-METHOXY-3-METHYL-7-(3-METHYL-2-PHENYL-BUT-3-ENOYLAMINO)-8-OXO-5-OXA-1-AZA-BICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID

Default Structure
ChEBI IDCHEBI:44213
ChEBI Name7-METHOXY-3-METHYL-7-(3-METHYL-2-PHENYL-BUT-3-ENOYLAMINO)-8-OXO-5-OXA-1-AZA-BICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID
Stars
DownloadsMolfile
FormulaC18H18N2O9
Net Charge0
Average Mass406.347
Monoisotopic Mass406.10123
SMILES[H]OC(=O)C1=C(C([H])([H])[H])C([H])([H])O[C@@]2([H])N1C(=O)[C@@]2(OC([H])([H])[H])N([H])C(=O)[C@@]([H])(C(=O)O[H])c1c([H])c([H])c(O[H])c([H])c1[H]
InChIInChI=1S/C18H18N2O9/c1-8-7-29-17-18(28-2,16(27)20(17)12(8)15(25)26)19-13(22)11(14(23)24)9-3-5-10(21)6-4-9/h3-6,11,17,21H,7H2,1-2H3,(H,19,22)(H,23,24)(H,25,26)/t11-,17+,18-/m0/s1
InChIKeyGYYVEEGHXUADBF-PDSMFRHLSA-N
ChEBI Ontology
Outgoing Relation(s)
7-METHOXY-3-METHYL-7-(3-METHYL-2-PHENYL-BUT-3-ENOYLAMINO)-8-OXO-5-OXA-1-AZA-BICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID (CHEBI:44213) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(6R,7R)-7-{[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-7-methoxy-3-methyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidPDBeChem
7-METHOXY-3-METHYL-7-(3-METHYL-2-PHENYL-BUT-3-ENOYLAMINO)-8-OXO-5-OXA-1-AZA-BICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACIDPDBeChem
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