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CHEBI:141955 - Strychnohexamine

ChEBI IDCHEBI:141955
ChEBI NameStrychnohexamine
Stars
Last Modified3 September 2018
Submittermwilliams
DownloadsMolfile
FormulaC59H60N6O
Net Charge0
Average Mass869.170
Monoisotopic Mass868.48286
SMILES[H][C@]12C=C([C@@]3([H])C[C@@]45c6ccccc6N6/C=C7/[C@@]8([H])C[C@]9([H])N(CC[C@@]9%10c9ccccc9N(/C=C(/[C@@]9([H])C[C@]4([H])N3C/C9=C/C)[C@]65[H])[C@@]7%10[H])C/C8=C/C)C(=O)N3c4ccccc4[C@@]4(CCN5C/C(=C/C)[C@]1([H])C[C@]54[H])[C@@]32[H]
InChIInChI=1S/C59H60N6O/c1-4-33-28-61-22-20-58-45-15-9-12-18-48(45)65-55(58)39(36(33)24-51(58)61)23-40(56(65)66)49-27-59-44-14-8-11-17-47(44)64-31-41-37-25-50-57(19-21-60(50)29-34(37)5-2)43-13-7-10-16-46(43)63(53(41)57)32-42(54(59)64)38-26-52(59)62(49)30-35(38)6-3/h4-18,23,31-32,36-39,49-55H,19-22,24-30H2,1-3H3/b33-4-,34-5-,35-6-,41-31-,42-32-/t36-,37-,38-,39-,49+,50-,51-,52-,53-,54-,55-,57+,58+,59+/m0/s1
InChIKeyDXTTUINJHHYHFN-QCOWUWOVSA-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)
Strychnohexamine (CHEBI:141955) is a monoterpenoid indole alkaloid (CHEBI:65323)