CHEBI:95122 - LSM-6387

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-6387
ChEBI ID CHEBI:95122
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C16H17NO4
Net Charge 0
Average Mass 287.311
Monoisotopic Mass 287.11576
InChI InChI=1S/C16H17NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19/h3-5,11,14-16,18-19H,1-2,6-7H2/t11-,14?,15?,16+/m0/s1
InChIKey XGVJWXAYKUHDOO-IWNGFBJFSA-N
SMILES C1CN2CC3=CC4=C(C=C3C5C2C1=C[C@@H]([C@H]5O)O)OCO4
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 LSM-6387 (CHEBI:95122) is a alkaloid (CHEBI:22315)
Manual Xref Database
LSM-6387 LINCS
View more database links