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Chemistry, part 2

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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 > organonitrogen heterocyclic compound > diazines > pyrazines > (+/-)-aluminiumneohydroxyaspergillin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > diazines > pyrazines > (+/-)-aluminiumneohydroxyaspergillin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > diazines > pyrazines > (+/-)-aluminiumneohydroxyaspergillin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > diazines > pyrazines > (+/-)-aluminiumneohydroxyaspergillin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > diazines > pyrazines > (+/-)-aluminiumneohydroxyaspergillin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > diazines > pyrazines > (+/-)-aluminiumneohydroxyaspergillin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > diazines > pyrazines > (+/-)-aluminiumneohydroxyaspergillin

Preferred term

(+/-)-aluminiumneohydroxyaspergillin  

Type

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

Broader concept

charge

  • 0

formula

  • C12H19N2O3.C12H19N2O3.C12H19N2O3.Al

inchi

  • InChI=1S/3C12H19N2O3.Al/c3*1-7(2)5-9-12(16)14(17)10(6-13-9)11(15)8(3)4;/h3*6-8,11,15H,5H2,1-4H3;/q3*-1;+3

inchikey

  • AXWPKMJONJJCAR-UHFFFAOYSA-N

mass

  • 744.867

monoisotopicmass

  • 744.40024

smiles

  • [Al+3].O=C1N([O-])C(=CN=C1CC(C)C)C(O)C(C)C.O=C1N([O-])C(=CN=C1CC(C)C)C(O)C(C)C.O=C1N([O-])C(=CN=C1CC(C)C)C(O)C(C)C

subset

  • 2_STAR

synonym EXACT

  • aluminum.6-(1-hydroxy-2-methylpropyl)-3-(2-methylpropyl)-1-oxidopyrazin-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206182

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