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CHEBI:93838 - LSM-4386

ChEBI IDCHEBI:93838
ChEBI NameLSM-4386
Stars
DownloadsMolfile
FormulaC29H36O8
Net Charge0
Average Mass512.599
Monoisotopic Mass512.24102
SMILESCOC(=O)C[C@H]1C(C)(C)[C@@H](OC(C)=O)[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O
InChIInChI=1S/C29H36O8/c1-15(30)36-26-18-11-17-19(29(5,24(18)33)21(27(26,2)3)13-22(31)34-6)7-9-28(4)20(17)12-23(32)37-25(28)16-8-10-35-14-16/h8,10,14,18-19,21,25-26H,7,9,11-13H2,1-6H3/t18-,19?,21+,25+,26+,28-,29-/m1/s1
InChIKeyYOTCKRFNSMJTGD-PSWUJVJRSA-N
ChEBI Ontology
Outgoing Relation(s)
LSM-4386 (CHEBI:93838) is a limonoid (CHEBI:39434)
Manual XrefsDatabases
LSM-4386LINCS