Mol:
6202-22-8.mol by:chem960.com
ChemDraw08031019472D
…………
94 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7837 3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1433 4.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5030 3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5030 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1433 1.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7837 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4240 1.5700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4240 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8171 6.2467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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M END
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帽柱木碱 InChIKey: LELBFTMXCIIKKX-UHFFFAOYSA-N
帽柱木碱 Inchi: InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3
帽柱木碱 SMILES: CCC1CN2CCC3=C(C2CC1C(=COC)C(=O)OC)NC4=C3C(=CC=C4)OC