CHEBI:131140 - LSM-42688

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ChEBI Name LSM-42688
ChEBI ID CHEBI:131140
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H27N3O4
Net Charge 0
Average Mass 445.511
Monoisotopic Mass 445.20016
InChI InChI=1S/C26H27N3O4/c1-23(2)10-8-15-17(33-23)7-6-14-16-12-26-18(24(3,4)20(16)29(32)19(14)15)13-25(21(30)27-26)9-5-11-28(25)22(26)31/h6-8,10,12,18H,5,9,11,13H2,1-4H3,(H,27,30)/t18-,25-,26-/m0/s1
InChIKey ALXLLOQTGLPCFG-ATANMQQVSA-N
SMILES CC1(C=CC2=C(O1)C=CC3=C2[N+](=C4C3=C[C@]56[C@H](C4(C)C)C[C@@]7(CCCN7C5=O)C(=O)N6)[O-])C
ChEBI Ontology
Outgoing LSM-42688 (CHEBI:131140) is a 1-benzopyran (CHEBI:38443)
Manual Xref Database
LSM-42688 LINCS
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