CHEBI:95097 - LSM-6354

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-6354
ChEBI ID CHEBI:95097
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C45H54N4O8
Net Charge 0
Average Mass 778.934
Monoisotopic Mass 778.39416
InChI InChI=1S/C45H54N4O8/c1-8-26-19-27-23-48(22-26)24-30-28-13-10-11-14-32(28)46-37(30)36(38(51)55-6)35(27)29-20-31-33(21-34(29)54-5)47(4)40-44(31)16-18-49-17-12-15-43(9-2,39(44)49)41(57-25(3)50)45(40,53)42(52)56-7/h10-15,19-21,27,35-36,39-41,46,53H,8-9,16-18,22-24H2,1-7H3/t27-,35-,36-,39+,40?,41-,43?,44-,45+/m1/s1
InChIKey CGXIIXQQCPGCFA-JDGUWALYSA-N
SMILES CCC1=C[C@@H]2CN(C1)CC3=C([C@@H]([C@H]2C4=C(C=C5C(=C4)[C@]67CCN8[C@H]6C(C=CC8)([C@H]([C@@](C7N5C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)NC9=CC=CC=C39
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-6354 (CHEBI:95097) is a alkaloid (CHEBI:22315)
Manual Xref Database
LSM-6354 LINCS
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