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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 > amino-acid derivative > glutamic acid derivative > usimine a

Preferred term

usimine a  

Type

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

Broader concept

charge

  • 0

formula

  • C24H25NO10

inchi

  • InChI=1S/C24H25NO10/c1-9-19(29)17(11(3)26)21-18(20(9)30)24(4)14(35-21)8-13(27)16(22(24)31)10(2)25-12(23(32)33)6-7-15(28)34-5/h8,12,25,29-30H,6-7H2,1-5H3,(H,32,33)/t12-,24-/m0/s1

inchikey

  • KSWPDJNHLSRGKZ-MCFWBGNESA-N

mass

  • 487.461

monoisotopicmass

  • 487.14785

smiles

  • O=C1C(C(=O)[C@@]2(C=3C(O)=C(C)C(=C(C3OC2=C1)C(=O)C)O)C)=C(N[C@H](C(=O)O)CCC(=O)OC)C

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxodibenzouran-2-ylidene]ethylamino]-5-methoxy-5-oxopentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:212489

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