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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 > fumigaclavine e
... > 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 e

Preferred term

fumigaclavine e  

Type

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

Broader concept

charge

  • 0

formula

  • C21H28N2O

inchi

  • InChI=1S/C21H28N2O/c1-6-21(3,4)20-14-10-16-18(19(24)12(2)11-23(16)5)13-8-7-9-15(22-20)17(13)14/h6-9,12,16,18-19,22,24H,1,10-11H2,2-5H3/t12-,16-,18-,19+/m1/s1

inchikey

  • VCXCXXJJHZVDSD-WTMJQUOKSA-N

mass

  • 324.468

monoisotopicmass

  • 324.22016

smiles

  • O[C@@H]1[C@@H]2C3=C4C(NC(=C4C[C@H]2N(C)C[C@H]1C)C(C=C)(C)C)=CC=C3

subset

  • 2_STAR

synonym EXACT

  • (6aR,9R,10S,10aR)-7,9-dimethyl-5-(2-methylbut-3-en-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-g]quinolin-10-ol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:218930

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