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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > ureas > 2-[(1r,3r,4ar,9as)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]acetic acid

Preferred term

2-[(1r,3r,4ar,9as)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]acetic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C21H21FN2O6

inchi

  • InChI=1S/C21H21FN2O6/c22-11-1-3-12(4-2-11)23-21(28)24-13-5-6-17-15(7-13)16-8-14(9-19(26)27)29-18(10-25)20(16)30-17/h1-7,14,16,18,20,25H,8-10H2,(H,26,27)(H2,23,24,28)/t14-,16-,18-,20+/m1/s1

inchikey

  • MPRUPAINZQILBH-ODZKNYGOSA-N

mass

  • 416.400

monoisotopicmass

  • 416.13836

smiles

  • C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)F)CO)CC(=O)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:110517

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