CHEBI:3447 - Caseadine

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ChEBI Name Caseadine
ChEBI ID CHEBI:3447
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 341.16271
InChI InChI=1S/C20H23NO4/c1-23-16-5-4-12-6-7-21-11-14-10-18(25-3)17(24-2)9-13(14)8-15(21)19(12)20(16)22/h4-5,9-10,15,22H,6-8,11H2,1-3H3/t15-/m0/s1
InChIKey HXHKKYNHNQVAAX-HNNXBMFYSA-N
SMILES COc1ccc2CCN3Cc4cc(OC)c(OC)cc4C[C@H]3c2c1O
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 Caseadine (CHEBI:3447) is a alkaloid (CHEBI:22315)
Synonym Source
Caseadine KEGG COMPOUND
Manual Xrefs Databases
C00001832 KNApSAcK
C09377 KEGG COMPOUND
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Registry Number Type Source
34413-12-2 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014