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Concept information

Preferred term

smenospongines c  

Type

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

charge

  • 0

formula

  • C24H33NO5

inchi

  • InChI=1S/C24H33NO5/c1-14-6-5-7-19-23(14,3)10-8-15(2)24(19,4)13-16-21(29)17(12-18(26)22(16)30)25-11-9-20(27)28/h12,15,19,25,30H,1,5-11,13H2,2-4H3,(H,27,28)/t15-,19+,23+,24+/m0/s1

inchikey

  • ADOWBZYFYUOPDL-ZZWUPXSGSA-N

mass

  • 415.52250

monoisotopicmass

  • 415.23587

smiles

  • C[C@H]1CC[C@@]2(C)[C@@H](CCCC2=C)[C@]1(C)CC1=C(O)C(=O)C=C(NCCC(O)=O)C1=O

subset

  • 3_STAR

synonym EXACT

  • N-(4-hydroxy-3,6-dioxo-5-{[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidenedecahydronaphthalen-1-yl]methyl}cyclohexa-1,4-dien-1-yl)-beta-alanine

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:70137

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