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CHEBI:182919 - Smenospongiarine

ChEBI IDCHEBI:182919
ChEBI NameSmenospongiarine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H39NO3
Net Charge0
Average Mass413.602
Monoisotopic Mass413.29299
SMILES[H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(NCCC(C)C)=CC(=O)C1=O
InChIInChI=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
InChIKeyQAIBXYQYLGUGJG-DVBYZVISSA-N
ChEBI Ontology
Outgoing Relation(s)
Smenospongiarine (CHEBI:182919) is a benzoquinones (CHEBI:22729)
Smenospongiarine (CHEBI:182919) is a orthoquinones (CHEBI:25622)
IUPAC Name 
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
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