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HUP

Summary
Name:Huperzine A
Formula:C15 H18 N2 O
Formal charge:0
Formula weight:242.316 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(5R,9R,11E)-5-amino-11-ethylidene-7-methyl-5,6,9,10-tetrahydro-5,9-methanocycloocta[b]pyridin-2(1H)-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1C=CC2=C(N1)CC3C=C(CC2(N)/C3=C/C)C
InChIInChI1.03InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15+/m0/s1
InChIKeyInChI1.03ZRJBHWIHUMBLCN-YQEJDHNASA-N
SMILES_CANONICALCACTVS3.385C\C=C1/[C@@H]2CC3=C(C=CC(=O)N3)[C@@]1(N)CC(=C2)C
SMILESCACTVS3.385CC=C1[CH]2CC3=C(C=CC(=O)N3)[C]1(N)CC(=C2)C
SMILES_CANONICALOpenEye OEToolkits1.7.6C/C=C/1\[C@@H]2CC3=C([C@]1(CC(=C2)C)N)C=CC(=O)N3
SMILESOpenEye OEToolkits1.7.6CC=C1C2CC3=C(C1(CC(=C2)C)N)C=CC(=O)N3

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數據於2024-07-17公開中

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