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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > sesquiterpenoid > nitropyrrolin e
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > nitropyrrolin e

Preferred term

nitropyrrolin e  

Type

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

Broader concept

charge

  • 0

formula

  • C19H31ClN2O5

has_role

inchi

  • InChI=1S/C19H31ClN2O5/c1-13(7-8-15(23)18(2,3)25)6-5-9-19(4,20)16(24)10-14-11-17(21-12-14)22(26)27/h6,11-12,15-16,21,23-25H,5,7-10H2,1-4H3/b13-6+/t15-,16-,19-/m1/s1

inchikey

  • CAJMFLABBNVXCD-BMGPEXAXSA-N

mass

  • 402.91300

monoisotopicmass

  • 402.19215

smiles

  • C/C(CC[C@@H](O)C(C)(C)O)=C/CC[C@@](C)(Cl)[C@H](O)Cc1c[nH]c(c1)[N+]([O-])=O

subset

  • 2_STAR

synonym RELATED

  • (E,3R,10R,11R)-10-chloro-2,6,10-trimethyl-12-(5-nitro-1H-pyrrol-3-yl)dodec-6-ene-2,3,11-triol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:70280

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