Mol:
70-51-9.mol by:chem960.com
ChemDraw08031019472D
…………
8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 7.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 5.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 4.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 3.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 2.3550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 3.1400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7983 14.9150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8773 14.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.6756 25.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.9563 29.0450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
23 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
32 34 2 0 0 0 0
31 35 1 0 0 0 0
20 36 2 0 0 0 0
19 37 1 0 0 0 0
8 38 2 0 0 0 0
7 39 1 0 0 0 0
M END
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去铁胺 MDL:
MFCD00242585
去铁胺 InChIKey:
UBQYURCVBFRUQT-UHFFFAOYSA-N
去铁胺 Inchi:
1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)
去铁胺 SMILES:
CC(N(O)CCCCCNC(CCC(N(O)CCCCCNC(CCC(N(O)CCCCCN)=O)=O)=O)=O)=O