CHEBI:100481 - LSM-11855

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-11855
ChEBI ID CHEBI:100481
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C31H35N3O6
Net Charge 0
Average Mass 545.627
Monoisotopic Mass 545.25259
InChI InChI=1S/C31H35N3O6/c1-20-15-34(21(2)17-35)30(36)26-11-7-6-10-25(26)24-9-5-4-8-22(24)18-38-29(20)16-33(3)31(37)32-23-12-13-27-28(14-23)40-19-39-27/h4-14,20-21,29,35H,15-19H2,1-3H3,(H,32,37)/t20-,21+,29-/m1/s1
InChIKey APWUXYFXBMGRIO-HNMNOHOESA-N
SMILES C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC5=C(C=C4)OCO5)[C@@H](C)CO
ChEBI Ontology
Outgoing LSM-11855 (CHEBI:100481) is a benzodioxoles (CHEBI:38298)
Manual Xref Database
LSM-11855 LINCS
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