CHEBI:131316 - LSM-39104

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-39104
ChEBI ID CHEBI:131316
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H32N2O4
Net Charge 0
Average Mass 388.501
Monoisotopic Mass 388.23621
InChI InChI=1S/C22H32N2O4/c1-6-7-17-8-10-18(11-9-17)22-19(24(16(4)26)20(22)13-25)12-23(15(2)3)21(27)14-28-5/h6-11,15,19-20,22,25H,12-14H2,1-5H3/t19-,20+,22-/m0/s1
InChIKey HKSWFDSECWATDS-VWPQPMDRSA-N
SMILES CC=CC1=CC=C(C=C1)[C@H]2[C@@H](N([C@@H]2CO)C(=O)C)CN(C(C)C)C(=O)COC
ChEBI Ontology
Outgoing LSM-39104 (CHEBI:131316) is a azetidines (CHEBI:38777)
LSM-39104 (CHEBI:131316) is a benzenes (CHEBI:22712)
LSM-39104 (CHEBI:131316) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-39104 LINCS
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