CHEBI:181807 - AgelasineE/F

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name AgelasineE/F
ChEBI ID CHEBI:181807
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H40N5
Net Charge +1
Average Mass 422.640
Monoisotopic Mass 422.32782
InChI InChI=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-
InChIKey PPCBHTAMQFLZHZ-NKVRVIBCSA-N
SMILES N1(C/C=C(\CC/C=C(\CCC2C(CCCC2=C)(C)C)/C)/C)C=3C([N+](=C1)C)=NC=NC3N
ChEBI Ontology
Outgoing 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