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CHEBI:141944 - Pleiokomenine A

ChEBI IDCHEBI:141944
ChEBI NamePleiokomenine A
Stars
Last Modified30 August 2018
Submittermwilliams
DownloadsMolfile
FormulaC45H56N4O4
Net Charge0
Average Mass716.967
Monoisotopic Mass716.43016
SMILESCOC(=O)C1C[C@@]23CCCN4CCC5(c6cc(Cc7ccc8c(c7)[C@@]79CCN%10CCC[C@]%11(CC[C@]7(C(C(=O)OC)C%11)N8C)[C@H]%109)ccc6N(C)C15CC2)[C@@H]43
InChIInChI=1S/C45H56N4O4/c1-46-34-9-7-28(24-30(34)42-17-21-48-19-5-11-40(38(42)48)13-15-44(42,46)32(26-40)36(50)52-3)23-29-8-10-35-31(25-29)43-18-22-49-20-6-12-41(39(43)49)14-16-45(43,47(35)2)33(27-41)37(51)53-4/h7-10,24-25,32-33,38-39H,5-6,11-23,26-27H2,1-4H3/t32?,33?,38-,39-,40+,41+,42+,43?,44+,45?/m0/s1
InChIKeyRJJDPKDKAKXJTE-XUXMBKKXSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Pleiokomenine A (CHEBI:141944) is a monoterpenoid indole alkaloid (CHEBI:65323)