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CHEBI:141899 - Ervafoline

ChEBI IDCHEBI:141899
ChEBI NameErvafoline
Stars
Last Modified29 August 2018
Submittermwilliams
DownloadsMolfile
FormulaC40H44N4O4
Net Charge0
Average Mass644.816
Monoisotopic Mass644.33626
SMILES[H][C@]12C[C@]3(CC)[C@]4([H])O[C@]4([H])CN4CC[C@@]5(c6ccccc6N6[C@]7([H])[C@]89CC(C(=O)OC)=C%10Nc%11ccccc%11[C@]%107CCN8[C@]1([H])[C@](CC)(C9)O[C@]625)[C@@]43[H]
InChIInChI=1S/C40H44N4O4/c1-4-35-19-25-30-37(5-2)21-36-18-22(32(45)46-3)29-38(14-17-43(30)36,23-10-6-8-12-26(23)41-29)34(36)44-27-13-9-7-11-24(27)39(40(25,44)48-37)15-16-42(33(35)39)20-28-31(35)47-28/h6-13,25,28,30-31,33-34,41H,4-5,14-21H2,1-3H3/t25-,28+,30-,31+,33-,34+,35+,36+,37-,38+,39+,40+/m0/s1
InChIKeyFQDMJZBDZWLYDU-IVGBSQAQSA-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)
Ervafoline (CHEBI:141899) is a monoterpenoid indole alkaloid (CHEBI:65323)