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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 c
organooxygen compound > carbon oxoacid > carboxylic acid > n-acyl-amino acid > penispirozine c
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > n-acyl-amino acid > penispirozine c
... > 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 c
... > 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 c
... > 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 c
organooxygen compound > carboxamide > n-acyl-amino acid > penispirozine c
... > 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 c

Preferred term

penispirozine c  

Type

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

Broader concept

charge

  • 0

formula

  • C20H22N2O8S

inchi

  • InChI=1S/C20H22N2O8S/c1-29-12-5-3-9(14(24)15(12)30-2)7-10-17(26)22-20(18(27)21-10)8-19(28)13(31-20)6-4-11(23)16(19)25/h3-7,11,13,16,23-25,28H,8H2,1-2H3,(H,21,27)(H,22,26)/t11-,13+,16+,19+,20-/m1/s1

inchikey

  • UYJRZLAFNMFNOF-UDIIKYEGSA-N

mass

  • 450.460

monoisotopicmass

  • 450.10969

smiles

  • S1[C@]2(NC(=O)C(=CC3=C(O)C(OC)=C(OC)C=C3)NC2=O)C[C@@]4([C@@H]1C=C[C@@H](O)[C@@H]4O)O

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:224565

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