CHEBI:3958 - Cularine

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ChEBI Name Cularine
ChEBI ID CHEBI:3958
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H23NO4
Net Charge 0
Average Mass 341.402
Monoisotopic Mass 341.163
InChI InChI=1S/C20H23NO4/c1-21-8-7-12-5-6-15(22-2)20-19(12)14(21)9-13-10-17(23-3)18(24-4)11-16(13)25-20/h5-6,10-11,14H,7-9H2,1-4H3/t14-/m0/s1
InChIKey DTMXRZMJFCVJQS-AWEZNQCLSA-N
SMILES COc1cc2C[C@@H]3N(C)CCc4ccc(OC)c(Oc2cc1OC)c34
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 Cularine (CHEBI:3958) is a alkaloid (CHEBI:22315)
Synonym Source
Cularine KEGG COMPOUND
Manual Xrefs Databases
C00001842 KNApSAcK
C09411 KEGG COMPOUND
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Registry Number Type Source
479-39-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014