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CHEBI:141945 - Pleiokomenine B

ChEBI IDCHEBI:141945
ChEBI NamePleiokomenine B
Stars
Last Modified30 August 2018
Submittermwilliams
DownloadsMolfile
FormulaC43H52N4O4
Net Charge0
Average Mass688.913
Monoisotopic Mass688.39886
SMILESCOC(=O)C1C[C@@]23CCCN4CCC5(c6cc(Cc7ccc8c(c7)[C@@]79CCN%10CCC[C@]%11(CC[C@@]7(N8)C(C(=O)O)C%11)[C@H]%109)ccc6N(C)C15CC2)[C@@H]43
InChIInChI=1S/C43H52N4O4/c1-45-33-8-6-27(23-29(33)41-16-20-47-18-4-10-39(37(41)47)12-14-43(41,45)31(25-39)35(50)51-2)21-26-5-7-32-28(22-26)40-15-19-46-17-3-9-38(36(40)46)11-13-42(40,44-32)30(24-38)34(48)49/h5-8,22-23,30-31,36-37,44H,3-4,9-21,24-25H2,1-2H3,(H,48,49)/t30?,31?,36-,37-,38+,39+,40+,41?,42+,43?/m0/s1
InChIKeySTYFAKVWGOAWSV-KZXITOABSA-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 B (CHEBI:141945) is a monoterpenoid indole alkaloid (CHEBI:65323)