Mol:BMCCPPPR0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 51 0 0 1 0 0 0 0 0999 V2000
7.1238 2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3444 3.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0580 3.5219 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
8.2785 2.8431 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
9.0672 2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2785 1.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9573 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9573 0.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2785 0.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0672 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2785 -0.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0580 -0.9903 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.3444 -0.9903 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.1238 -0.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3352 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1238 0.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4451 0.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4451 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1238 1.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3352 2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7012 2.2658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7012 1.2658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7012 0.2658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7012 1.2658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7566 4.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6458 4.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2391 5.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7663 2.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7663 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6798 0.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6458 -1.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7566 -1.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1633 -2.7128 0.0000 C 0 2 0 0 0 0 0 0 0 0 0 0
6.5755 -3.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6361 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7226 0.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9135 0.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6361 2.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3945 -5.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7012 1.2658 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0
6.9823 -4.4354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5810 -3.4173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0181 -0.8544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 5 1 4 0 0 0
4 21 1 0 0 0 0
22 6 1 0 0 0 0
6 5 2 0 0 0 0
22 9 2 0 0 0 0
23 11 1 0 0 0 0
11 10 2 0 0 0 0
10 9 1 0 0 0 0
1 20 1 0 0 0 0
20 19 2 0 0 0 0
19 24 1 0 0 0 0
24 16 2 0 0 0 0
16 15 1 0 0 0 0
15 14 2 0 0 0 0
14 23 1 0 0 0 0
6 7 1 0 0 0 0
9 8 1 0 0 0 0
8 7 2 0 0 0 0
4 3 1 0 0 0 0
1 21 1 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
19 18 1 0 0 0 0
16 17 1 0 0 0 0
18 17 2 0 0 0 0
14 13 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
7 28 1 0 0 0 0
8 29 1 0 0 0 0
3 26 1 4 0 0 0
2 25 1 0 0 0 0
18 38 1 0 0 0 0
17 35 1 0 0 0 0
13 32 1 4 0 0 0
12 31 1 4 0 0 0
21 40 1 0 0 0 0
22 40 1 0 0 0 0
23 40 1 0 0 0 0
24 40 1 0 0 0 0
26 27 2 0 0 0 0
29 30 2 0 0 0 0
35 36 1 0 0 0 0
32 33 1 0 0 0 0
34 41 1 0 0 0 0
34 42 2 0 0 0 0
33 34 1 0 0 0 0
37 43 1 0 0 0 0
37 44 2 0 0 0 0
36 37 1 0 0 0 0
41 39 1 0 0 0 0
S SKP 7
ID BMCCPPPR0004
NAME Magnesium 3- [8,13-di(ethenyl) -18- (3-methoxy-3-oxopropyl) -3,7,12,17-tetramethylporphyrin-22,24-diid-2-yl] propanoic acid
CAS_RN 15654-92-9
FORMULA C35H36MgN4O4
EXACTMASS 600.2586
AVERAGEMASS 600.9899
SMILES CC(=C8C=C)C(=C6)N(=C82)[Mg+2](N4=3)(N75)N(C1=CC3C(CCC(O)=O)=C(C)C4=CC5=C(C(C=C)C67)C)C(=C2)C(C1C[C+2]C(=O)OC)C
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04536
M END
