CHEBI:9644 - Toxiferine I

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ChEBI Name Toxiferine I
ChEBI ID CHEBI:9644
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C40H46N4O2
Net Charge +2
Average Mass 614.820
Monoisotopic Mass 614.362
InChI InChI=1S/C40H46N4O2/c1-43-15-13-39-31-7-3-5-9-33(31)41-22-30-28-20-36-40(14-16-44(36,2)24-26(28)12-18-46)32-8-4-6-10-34(32)42(38(30)40)21-29(37(39)41)27(19-35(39)43)25(23-43)11-17-45/h3-12,21-22,27-28,35-38,45-46H,13-20,23-24H2,1-2H3/q+2/b25-11-,26-12-,29-21-,30-22-/t27-,28-,35-,36-,37-,38-,39+,40+,43-,44-/m0/s1
InChIKey IIYHWTVUYIYKKG-QQRSFBQTSA-N
SMILES C[N@@+]12CC[C@@]34[C@@H]1C[C@@H](\C(C2)=C/CO)\C1=C\N2[C@@H]5[C@]6(CC[N@@+]7(C)C\C(=C\CO)[C@H](C[C@@H]67)\C5=C\N([C@H]31)c1ccccc41)c1ccccc21
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Toxiferine I (CHEBI:9644) is a alkaloid (CHEBI:22315)
Synonym Source
Toxiferine I KEGG COMPOUND
Manual Xrefs Databases
C00001776 KNApSAcK
C09246 KEGG COMPOUND
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Registry Number Type Source
6888-23-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014