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Chemistry, part 1

Content language

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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > n-acyl-amino acid > penispirozine h
organooxygen compound > carbon oxoacid > carboxylic acid > n-acyl-amino acid > penispirozine h
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > n-acyl-amino acid > penispirozine h
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > n-acyl-amino acid > penispirozine h
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > n-acyl-amino acid > penispirozine h
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > n-acyl-amino acid > penispirozine h
organooxygen compound > carboxamide > n-acyl-amino acid > penispirozine h
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > n-acyl-amino acid > penispirozine h

Preferred term

penispirozine h  

Type

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

Broader concept

charge

  • 0

formula

  • C21H24N2O9

inchi

  • InChI=1S/C21H24N2O9/c1-23-11(8-10-4-6-13(30-2)16(31-3)15(10)25)18(27)22-21(19(23)28)9-20(29)14(32-21)7-5-12(24)17(20)26/h4-8,12,14,17,24-26,29H,9H2,1-3H3,(H,22,27)/t12-,14-,17+,20+,21+/m1/s1

inchikey

  • HCKQCACCKTUAQG-DIAALFMGSA-N

mass

  • 448.428

monoisotopicmass

  • 448.14818

smiles

  • O=C1N[C@@]2(O[C@@H]3C=C[C@H]([C@@H]([C@@]3(C2)O)O)O)C(=O)N(C1=CC4=C(O)C(OC)=C(OC)C=C4)C

subset

  • 2_STAR

synonym EXACT

  • (2S,3aR,4S,5R,7aR)-3a,4,5-trihydroxy-6'-[(2-hydroxy-3,4-dimethoxyphenyl)methylidene]-1'-methylspiro[3,4,5,7a-tetrahydro-1-benzouran-2,3'-piperazine]-2',5'-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:224590

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