CHEBI:93838 - LSM-4386

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-4386
ChEBI ID CHEBI:93838
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C29H36O8
Net Charge 0
Average Mass 512.592
Monoisotopic Mass 512.24102
InChI InChI=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
InChIKey YOTCKRFNSMJTGD-PSWUJVJRSA-N
SMILES CC(=O)O[C@H]1[C@@H]2CC3=C4CC(=O)O[C@H]([C@@]4(CCC3[C@@](C2=O)([C@H](C1(C)C)CC(=O)OC)C)C)C5=COC=C5
ChEBI Ontology
Outgoing LSM-4386 (CHEBI:93838) is a limonoid (CHEBI:39434)
Manual Xref Database
LSM-4386 LINCS
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