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Chemistry, part 3

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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 > 8,9-dihydro-8-hydroxybarettin

Preferred term

8,9-dihydro-8-hydroxybarettin  

Type

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

Broader concept

charge

  • 0

formula

  • C17H21BrN6O3

inchi

  • InChI=1S/C17H21BrN6O3/c18-8-3-4-9-10(7-22-12(9)6-8)14(25)13-16(27)23-11(15(26)24-13)2-1-5-21-17(19)20/h3-4,6-7,11,13-14,22,25H,1-2,5H2,(H,23,27)(H,24,26)(H4,19,20,21)/t11-,13?,14?/m0/s1

inchikey

  • PTZVAKIIQBHEJQ-XGNXJENSSA-N

mass

  • 437.298

monoisotopicmass

  • 436.08585

smiles

  • BrC1=CC=2NC=C(C(C3NC(=O)[C@@H](NC3=O)CCCNC(=N)N)O)C2C=C1

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:194575

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