CHEBI:103254 - LSM-14598

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-14598
ChEBI ID CHEBI:103254
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C26H29N3O7
Net Charge 0
Average Mass 495.525
Monoisotopic Mass 495.20055
InChI InChI=1S/C26H29N3O7/c1-3-4-16-6-7-18-24-23(25(32)27-10-15-5-8-20-21(9-15)36-14-35-20)17(12-30)19(11-28(18)26(16)33)29(24)22(31)13-34-2/h3-9,17,19,23-24,30H,10-14H2,1-2H3,(H,27,32)/t17-,19-,23+,24+/m0/s1
InChIKey HQJXANMCBMUVFV-BLCURXPKSA-N
SMILES CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3C(=O)COC)CN2C1=O)CO)C(=O)NCC4=CC5=C(C=C4)OCO5
ChEBI Ontology
Outgoing LSM-14598 (CHEBI:103254) is a benzodioxoles (CHEBI:38298)
Manual Xref Database
LSM-14598 LINCS
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