CHEBI:141928 - Nb-methylusambarensine

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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 Nb-methylusambarensine
ChEBI ID CHEBI:141928
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C30H31N4
Net Charge +1
Average Mass 447.595
Monoisotopic Mass 447.25432
InChI InChI=1S/C30H31N4/c1-3-19-18-34(2)15-13-24-22-9-5-7-11-26(22)33-30(24)28(34)17-20(19)16-27-29-23(12-14-31-27)21-8-4-6-10-25(21)32-29/h3-12,14,20,28,32-33H,13,15-18H2,1-2H3/q+1/b19-3-/t20-,28-,34?/m0/s1
InChIKey QCLXHLAQWSKUQF-MPMWDDIASA-N
SMILES C/C=C\1/C[N+]2(C)CCC=3C4=CC=CC=C4NC3[C@@]2(C[C@@]1(CC=5C6=C(C=CN5)C7=CC=CC=C7N6)[H])[H]
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing Nb-methylusambarensine (CHEBI:141928) is a monoterpenoid indole alkaloid (CHEBI:65323)
Last Modified
30 August 2018