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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > a32390a
organooxygen compound > a32390a

Preferred term

a32390a  

Type

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

Broader concept

charge

  • 0

formula

  • C18H28N2O8

has_functional_parent

inchi

  • InChI=1S/C18H28N2O8/c1-9(2)13(19-5)17(25)27-7-11(21)15(23)16(24)12(22)8-28-18(26)14(20-6)10(3)4/h11-12,15-16,21-24H,5-8H2,1-4H3/t11-,12-,15-,16-/m1/s1

inchikey

  • YNPCISSLHKFMKR-CZPYZCIJSA-N

mass

  • 400.428

monoisotopicmass

  • 400.18457

smiles

  • O=C(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COC(=O)C(N=C)=C(C)C)C(N=C)=C(C)C

subset

  • 2_STAR

synonym EXACT

  • [(2R,3R,4R,5R)-2,3,4,5-tetrahydroxy-6-[3-methyl-2-(methylideneamino)but-2-enoyl]oxyhexyl] 3-methyl-2-(methylideneamino)but-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:199611

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