skip to main content

Chemistry, part 3

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbonyl compound > ketone > cyclic ketone > quinone > benzoquinones > smenospongiarine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > cyclic ketone > quinone > benzoquinones > smenospongiarine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > cyclic ketone > quinone > benzoquinones > smenospongiarine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > quinone > benzoquinones > smenospongiarine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > quinone > benzoquinones > smenospongiarine

Preferred term

smenospongiarine  

Type

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

Broader concept

charge

  • 0

formula

  • C26H39NO3

inchi

  • InChI=1S/C26H39NO3/c1-16(2)11-13-27-20-14-21(28)24(30)19(23(20)29)15-26(6)18(4)10-12-25(5)17(3)8-7-9-22(25)26/h14,16,18,22,27,29H,3,7-13,15H2,1-2,4-6H3/t18-,22+,25+,26+/m0/s1

inchikey

  • QAIBXYQYLGUGJG-DVBYZVISSA-N

mass

  • 413.602

monoisotopicmass

  • 413.29299

smiles

  • OC1=C(C[C@]2([C@]3([C@](CC[C@@H]2C)(C(CCC3)=C)C)[H])C)C(=O)C(=O)C=C1NCCC(C)C

subset

  • 2_STAR

synonym EXACT

  • 3-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-4-hydroxy-5-(3-methylbutylamino)cyclohexa-3,5-diene-1,2-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:182919

Download this concept:

RDF/XML TURTLE JSON-LD