CHEBI:8402 - Pretazettine

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ChEBI Name Pretazettine
ChEBI ID CHEBI:8402
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H21NO5
Net Charge 0
Average Mass 331.364
Monoisotopic Mass 331.14197
InChI InChI=1S/C18H21NO5/c1-19-8-16-18(4-3-10(21-2)5-15(18)19)12-7-14-13(22-9-23-14)6-11(12)17(20)24-16/h3-4,6-7,10,15-17,20H,5,8-9H2,1-2H3/t10-,15+,16+,17-,18+/m1/s1
InChIKey KLJOYDMUWKSYBP-YNBLHMCPSA-N
SMILES CO[C@H]1C[C@@H]2N(C)C[C@@H]3O[C@@H](O)c4cc5OCOc5cc4[C@@]23C=C1
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 Pretazettine (CHEBI:8402) is a alkaloid (CHEBI:22315)
Synonym Source
Pretazettine KEGG COMPOUND
Manual Xrefs Databases
C00001580 KNApSAcK
C08536 KEGG COMPOUND
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Registry Number Type Source
17322-84-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014