CHEBI:119396 - LSM-30845

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-30845
ChEBI ID CHEBI:119396
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C30H36N2O6S
Net Charge 0
Average Mass 552.684
Monoisotopic Mass 552.22941
InChI InChI=1S/C30H36N2O6S/c1-21-17-32(22(2)19-33)30(34)28-12-8-7-11-27(28)26-10-6-5-9-23(26)20-38-29(21)18-31(3)39(35,36)25-15-13-24(37-4)14-16-25/h5-16,21-22,29,33H,17-20H2,1-4H3/t21-,22-,29+/m0/s1
InChIKey UOSMRAYIPQIEAB-IHMCZWCLSA-N
SMILES C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)OC)[C@@H](C)CO
ChEBI Ontology
Outgoing LSM-30845 (CHEBI:119396) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-30845 LINCS
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