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Concept information

Preferred term

pestalamide a  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

alt_id

  • CHEBI:64472

charge

  • 0

formula

  • C18H17NO6

inchi

  • InChI=1S/C18H17NO6/c1-11(18(23)24)7-16(21)19-17(22)14-10-25-13(9-15(14)20)8-12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,23,24)(H,19,21,22)/t11-/m0/s1

inchikey

  • JBQPQUZBAGHRDN-NSHDSACASA-N

mass

  • 343.331

monoisotopicmass

  • 343.10559

smiles

  • C1=CC=CC(CC2=CC(C(=CO2)C(=O)NC(C[C@@H](C(O)=O)C)=O)=O)=C1

subset

  • 3_STAR

synonym EXACT

  • (2S)-4-{[(6-benzyl-4-oxo-4H-pyran-3-yl)carbonyl]amino}-2-methyl-4-oxobutanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:69404

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