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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 > beta,beta-ergoannam
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organonitrogen compound > alkaloid > beta,beta-ergoannam

Preferred term

beta,beta-ergoannam  

Type

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

Broader concept

charge

  • 0

formula

  • C33H43N5O4

inchi

  • InChI=1S/C33H43N5O4/c1-6-18(3)28(32(41)38-29(19(4)7-2)33(42)37-13-9-12-25(37)31(38)40)35-30(39)21-14-23-22-10-8-11-24-27(22)20(16-34-24)15-26(23)36(5)17-21/h8,10-11,14,16,18-19,21,25-26,28-29,34H,6-7,9,12-13,15,17H2,1-5H3,(H,35,39)/t18-,19+,21-,25-,26?,28-,29+/m1/s1

inchikey

  • IHDIXBZKTTXKMY-ADKHCRFMSA-N

mass

  • 573.738

monoisotopicmass

  • 573.33150

smiles

  • O=C1N2[C@@H](C(=O)N([C@H]1[C@H](CC)C)C(=O)[C@H](NC(=O)[C@@H]3C=C4C5=C6C(NC=C6CC4N(C3)C)=CC=C5)[C@@H](CC)C)CCC2

subset

  • 2_STAR

synonym EXACT

  • (9R)-N-[(2R,3R)-1-[(3S,8aR)-3-[(2S)-butan-2-yl]-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-3-methyl-1-oxopentan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-g]quinoline-9-carboxamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:204902

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