CHEBI:5049 - Fetidine

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ChEBI Name Fetidine
ChEBI ID CHEBI:5049
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C40H46N2O8
Net Charge 0
Average Mass 682.803
Monoisotopic Mass 682.32542
InChI InChI=1S/C40H46N2O8/c1-41-13-11-22-17-31(45-4)32(46-5)20-26(22)28(41)15-24-9-10-30(44-3)40(49-8)39(24)50-34-19-25-16-29-36-23(12-14-42(29)2)18-35(48-7)38(43)37(36)27(25)21-33(34)47-6/h9-10,17-21,28-29,43H,11-16H2,1-8H3/t28-,29-/m0/s1
InChIKey IBHSRCBKJMEBQB-VMPREFPWSA-N
SMILES COc1cc2CCN(C)[C@@H](Cc3ccc(OC)c(OC)c3Oc3cc4C[C@@H]5N(C)CCc6cc(OC)c(O)c(-c4cc3OC)c56)c2cc1OC
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 Fetidine (CHEBI:5049) is a bisbenzylisoquinoline alkaloid (CHEBI:133004)
Synonym Source
Fetidine KEGG COMPOUND
Manual Xrefs Databases
C00001858 KNApSAcK
C09441 KEGG COMPOUND
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Registry Number Type Source
7072-86-8 CAS Registry Number KEGG COMPOUND
Last Modified
12 August 2016