CHEBI:110161 - LSM-21588

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-21588
ChEBI ID CHEBI:110161
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C29H38O8
Net Charge 0
Average Mass 514.608
Monoisotopic Mass 514.25667
InChI InChI=1S/C29H38O8/c1-16-19-8-10-27(5)25(18-9-11-34-15-18)36-24(32)14-29(16,27)37-22-13-21(35-17(2)30)26(3,4)20(28(19,22)6)12-23(31)33-7/h9,11,15,19-22,25H,1,8,10,12-14H2,2-7H3/t19?,20-,21-,22-,25-,27-,28+,29-/m0/s1
InChIKey UWOANMOYULTSJG-UASXDGGGSA-N
SMILES CC(=O)O[C@H]1C[C@H]2[C@@]([C@H](C1(C)C)CC(=O)OC)(C3CC[C@]4([C@@H](OC(=O)C[C@@]4(C3=C)O2)C5=COC=C5)C)C
ChEBI Ontology
Outgoing LSM-21588 (CHEBI:110161) is a carbonyl compound (CHEBI:36586)
Manual Xref Database
LSM-21588 LINCS
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