Mol:BMCCPPPR0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
48 52 0 0 0 0 0 0 0 0999 V2000
6.2529 -1.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1578 -3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2778 -3.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0651 -2.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0459 -2.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8774 -1.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0860 -1.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5499 -0.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6281 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4330 0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8774 1.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9725 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8525 3.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0651 2.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0844 2.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2529 1.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0443 1.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5804 0.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5022 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6973 -0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0844 -2.3678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.4330 -0.9808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0459 2.3678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6973 0.9808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.8252 3.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7990 4.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6516 5.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5218 2.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5222 2.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9997 3.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3051 -3.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3313 -4.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4787 -5.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6080 0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5113 -4.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6190 4.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5499 -0.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6085 -2.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6081 -2.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1306 -3.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5304 4.5883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.6254 6.0651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4768 4.4653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.5603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5999 -4.5883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5048 -6.0651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.6535 -4.4653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.1303 -3.5603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 2 1 0 0 0 0
2 1 2 0 0 0 0
21 4 1 0 0 0 0
17 16 2 0 0 0 0
31 32 1 0 0 0 0
24 19 1 0 0 0 0
19 18 2 0 0 0 0
18 17 1 0 0 0 0
16 24 1 0 0 0 0
32 33 1 0 0 0 0
19 20 1 0 0 0 0
20 1 1 0 0 0 0
28 29 1 0 0 0 0
4 5 1 0 0 0 0
33 45 1 0 0 0 0
5 6 1 0 0 0 0
9 22 1 0 0 0 0
27 41 1 0 0 0 0
33 46 2 0 0 0 0
29 30 1 0 0 0 0
18 34 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
22 6 1 0 0 0 0
13 14 2 0 0 0 0
25 26 1 0 0 0 0
30 43 1 0 0 0 0
3 35 1 0 0 0 0
23 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
14 23 1 0 0 0 0
27 42 2 0 0 0 0
11 10 1 0 0 0 0
10 9 1 0 0 0 0
30 44 2 0 0 0 0
14 15 1 0 0 0 0
13 36 1 0 0 0 0
15 16 1 0 0 0 0
12 25 1 0 0 0 0
8 37 1 0 0 0 0
1 21 1 0 0 0 0
7 38 1 0 0 0 0
26 27 1 0 0 0 0
38 39 1 0 0 0 0
2 31 1 0 0 0 0
39 40 1 0 0 0 0
17 28 1 0 0 0 0
40 47 1 0 0 0 0
4 3 2 0 0 0 0
40 48 2 0 0 0 0
S SKP 7
ID BMCCPPPR0001
NAME Coproporphyrinogen I
FORMULA C36H44N4O8
EXACTMASS 660.3159
AVERAGEMASS 660.7567
SMILES c(C4)(n1)c(C)c(CCC(O)=O)c(Cc(n2)c(C)c(CCC(O)=O)c(Cc(n3)c(C)c(CCC(O)=O)c(Cc(n5)c(C)c(CCC(O)=O)c45)3)2)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05768
M END
