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

Preferred term

fumigaclavine h  

Type

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

Broader concept

charge

  • 0

formula

  • C21H28N2.CO2

inchi

  • InChI=1S/C21H28N2.CO2/c1-6-21(4,5)20-15-10-17-18(13(3)12(2)11-22-17)14-8-7-9-16(23-20)19(14)15;2-1-3/h6-9,12-13,17-18,22-23H,1,10-11H2,2-5H3;/t12-,13+,17+,18-;/m0./s1

inchikey

  • LRPXCXGKBFJKOI-ZMLIQXICSA-N

mass

  • 352.478

monoisotopicmass

  • 352.21508

smiles

  • O=C=O.N1[C@H]2[C@H](C3=C4C(=CC=C3)NC(=C4C2)C(C=C)(C)C)[C@H](C)[C@H](C1)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:218940

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