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CHEBI:141870 - 3',4',5',6'-tetradehydrogeissospermine

ChEBI IDCHEBI:141870
ChEBI Name3',4',5',6'-tetradehydrogeissospermine
Stars
Last Modified31 August 2018
Submittermwilliams
DownloadsMolfile
FormulaC40H45N4O3
Net Charge+1
Average Mass629.825
Monoisotopic Mass629.34862
SMILES[H][C@@]1(CC)CN2CC[C@]34c5ccccc5N5[C@@]3([H])[C@@]([H])(CO[C@@]5([H])[C@]([H])(C(=O)OC)[C@@]3([H])Cc5c6nc7ccccc7c6cc[n+]5C/C3=C/C)[C@@]1([H])C[C@]24[H]
InChIInChI=1S/C40H44N4O3/c1-4-23-21-43-17-15-40-30-11-7-9-13-32(30)44-37(40)29(27(23)19-34(40)43)22-47-38(44)35(39(45)46-3)28-18-33-36-26(14-16-42(33)20-24(28)5-2)25-10-6-8-12-31(25)41-36/h5-14,16,23,27-29,34-35,37-38H,4,15,17-22H2,1-3H3/p+1/b24-5-/t23-,27+,28+,29+,34+,35-,37+,38+,40-/m1/s1
InChIKeyNTYUVNILMFXXRA-SNDVQFAZSA-O
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)
3',4',5',6'-tetradehydrogeissospermine (CHEBI:141870) is a monoterpenoid indole alkaloid (CHEBI:65323)