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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 > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > alkaloid > isoquinoline alkaloid > oxopurpureine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organonitrogen compound > alkaloid > isoquinoline alkaloid > oxopurpureine

Preferred term

oxopurpureine  

Type

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

Broader concept

charge

  • 0

formula

  • C21H19NO6

inchi

  • InChI=1S/C21H19NO6/c1-24-13-8-11-12(9-14(13)25-2)18(23)17-15-10(6-7-22-17)19(26-3)21(28-5)20(27-4)16(11)15/h6-9H,1-5H3

inchikey

  • AZTLZBDEFBJZQG-UHFFFAOYSA-N

mass

  • 381.384

monoisotopicmass

  • 381.12124

smiles

  • O(C1=C2C3=C(C(OC)=C1OC)C=CN=C3C(=O)C=4C2=CC(OC)=C(OC)C4)C

subset

  • 2_STAR

synonym EXACT

  • 4,5,14,15,16-pentamethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:188967

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