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CHEBI:181807 - AgelasineE/F

ChEBI IDCHEBI:181807
ChEBI NameAgelasineE/F
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SubmitterMetaboLights
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FormulaC26H40N5
Net Charge+1
Average Mass422.641
Monoisotopic Mass422.32782
SMILESC=C1CCCC(C)(C)C1CC/C(C)=C\CC/C(C)=C\Cn1c[n+](C)c2ncnc(N)c21
InChIInChI=1S/C26H40N5/c1-19(12-13-22-21(3)11-8-15-26(22,4)5)9-7-10-20(2)14-16-31-18-30(6)25-23(31)24(27)28-17-29-25/h9,14,17-18,22H,3,7-8,10-13,15-16H2,1-2,4-6H3,(H2,27,28,29)/q+1/b19-9-,20-14-
InChIKeyPPCBHTAMQFLZHZ-NKVRVIBCSA-N
ChEBI Ontology
Outgoing Relation(s)
AgelasineE/F (CHEBI:181807) is a diterpenoid (CHEBI:23849)
IUPAC Name 
7-[(2Z,6Z)-9-(2,2-dimethyl-6-methylidenecyclohexyl)-3,7-dimethylnona-2,6-dienyl]-9-methylpurin-9-ium-6-amine