CHEBI:91512 - LSM-1290

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ChEBI Name LSM-1290
ChEBI ID CHEBI:91512
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H21NO4
Net Charge 0
Average Mass 315.364
Monoisotopic Mass 315.14706
InChI InChI=1S/C18H21NO4/c1-21-15-9-18-4-2-5-19(18)6-3-11-7-13-14(23-10-22-13)8-12(11)16(18)17(15)20/h7-9,16-17,20H,2-6,10H2,1H3
InChIKey YMNCVRSYJBNGLD-UHFFFAOYSA-N
SMILES COC1=CC23CCCN2CCC4=CC5=C(C=C4C3C1O)OCO5
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 LSM-1290 (CHEBI:91512) is a benzazepine alkaloid (CHEBI:38523)
LSM-1290 (CHEBI:91512) is a cyclic acetal (CHEBI:59770)
Manual Xref Database
LSM-1290 LINCS
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