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Chemistry, part 1

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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 > cristatumin f
organooxygen compound > cristatumin f

Preferred term

cristatumin f  

Type

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

Broader concept

charge

  • 0

formula

  • C31H43N3O2

has_functional_parent

inchi

  • InChI=1S/C31H43N3O2/c1-10-31(8,9)28-24(17-25-29(35)34-26(20(6)7)30(36)32-25)23-16-21(13-11-18(2)3)15-22(27(23)33-28)14-12-19(4)5/h10-12,15-16,20,25-26,33H,1,13-14,17H2,2-9H3,(H,32,36)(H,34,35)/t25-,26+/m0/s1

inchikey

  • YLYVEDGFLNUJTJ-IZZNHLLZSA-N

mass

  • 489.704

monoisotopicmass

  • 489.33553

smiles

  • O=C1N[C@H](C(=O)N[C@@H]1C(C)C)CC=2C3=C(C(=CC(=C3)CC=C(C)C)CC=C(C)C)NC2C(C=C)(C)C

subset

  • 2_STAR

synonym EXACT

  • (3S,6R)-3-[[2-(2-methylbut-3-en-2-yl)-5,7-bis(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-6-propan-2-ylpiperazine-2,5-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:212084

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