Mol:BMCCPPCL0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 53 0 0 1 0 0 0 0 0999 V2000
7.1238 1.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3444 2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0580 2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2785 1.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0672 1.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2785 0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9573 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9573 -0.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2785 -0.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0672 -1.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2785 -1.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0580 -2.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3444 -2.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1238 -1.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3352 -1.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1238 -0.7293 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.4451 -0.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4451 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1238 0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3352 1.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7012 0.8481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7012 -0.1519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7012 -1.1519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7012 -0.1519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7566 2.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6458 2.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2391 3.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7663 0.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7663 -1.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6798 -0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6458 -3.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6285 -2.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0048 -2.2811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.0288 -2.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7536 -3.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6361 -1.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7226 -0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9135 -1.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6361 0.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5342 -3.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3520 -1.7629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7296 -3.4533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0181 -2.2721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7012 -0.1519 0.0000 Mg 0 0 0 0 0 0 0 0 0 0 0 0
4 5 1 0 0 0 0
4 21 1 0 0 0 0
22 6 1 0 0 0 0
6 5 2 0 0 0 0
24 16 1 0 0 0 0
16 15 1 4 0 0 0
15 14 2 0 0 0 0
14 23 1 0 0 0 0
24 19 1 0 0 0 0
21 1 1 0 0 0 0
1 20 1 0 0 0 0
20 19 2 0 0 0 0
11 23 1 0 0 0 0
11 10 2 0 0 0 0
10 9 1 0 0 0 0
9 22 2 0 0 0 0
6 7 1 0 0 0 0
9 8 1 0 0 0 0
11 12 1 0 0 0 0
14 13 1 0 0 0 0
16 17 1 0 0 0 0
19 18 1 0 0 0 0
1 2 2 0 0 0 0
4 3 2 0 0 0 0
8 7 2 0 0 0 0
12 13 2 0 0 0 0
17 18 2 0 0 0 0
2 3 1 0 0 0 0
7 28 1 0 0 0 0
8 29 1 0 0 0 0
29 30 1 0 0 0 0
13 32 1 0 0 0 0
33 15 1 6 0 0 0
33 32 1 0 0 0 0
12 31 1 0 0 0 0
32 40 2 0 0 0 0
34 41 2 0 0 0 0
34 42 1 0 0 0 0
33 34 1 0 0 0 0
17 36 1 0 0 0 0
36 37 1 0 0 0 0
38 43 1 0 0 0 0
38 44 2 0 0 0 0
37 38 1 0 0 0 0
18 39 1 0 0 0 0
2 25 1 0 0 0 0
3 26 1 0 0 0 0
26 27 2 0 0 0 0
21 45 1 0 0 0 0
45 22 1 0 0 0 0
45 24 1 0 0 0 0
45 23 1 0 0 0 0
42 35 1 0 0 0 0
S SKP 7
ID BMCCPPCL0002
NAME Protochlorophyllide
FORMULA C35H33MgN4O5
EXACTMASS 613.2301
AVERAGEMASS 613.9654
SMILES [Mg](n12)(N43)(n86)N(=C97)C(C(=C9CC)C)=Cc(c(c(c(C=C(C(C)=C(CCC(O)=O)C(C(=c58)[C@H](C(c(c(C)c6=C7)5)=O)C(=O)OC)4)3)2)C)C=C)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02880
M END
