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Chemistry, part 3

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 > geobarrettin a

Preferred term

geobarrettin a  

Type

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

Broader concept

charge

  • 0

formula

  • C17H19BrN6O4

inchi

  • InChI=1S/C17H19BrN6O4/c18-8-3-4-9-11(6-8)24-15(27)17(9,28)7-12-14(26)22-10(13(25)23-12)2-1-5-21-16(19)20/h3-4,6-7,10,28H,1-2,5H2,(H,22,26)(H,23,25)(H,24,27)(H4,19,20,21)/b12-7-/t10-,17+/m0/s1

inchikey

  • VGBSNHUHBSNOBR-RZGSRCBCSA-N

mass

  • 451.281

monoisotopicmass

  • 450.06512

smiles

  • C1=C(C=C2C(=C1)[C@@](C(N2)=O)(/C=C/3/NC([C@@H](NC3=O)CCCNC(N)=N)=O)O)Br

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:194559

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