Mol:BMCCPPPR0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
48 52 0 0 0 0 0 0 0 0999 V2000
10.6281 -0.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5499 -1.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0860 -2.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8774 -2.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0459 -2.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0651 -2.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2778 -3.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1578 -3.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2529 -2.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6973 -1.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5022 -0.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5804 0.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0443 1.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2529 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0844 1.9973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0651 2.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8525 3.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9725 2.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8774 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4330 0.6102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4330 -1.3513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0844 -2.7384 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6973 0.6102 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0459 1.9973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.5499 -1.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6085 -3.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6081 -3.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1306 -3.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5113 -4.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3051 -3.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3313 -4.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4787 -5.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6080 0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5218 2.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5222 2.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9997 3.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6190 4.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3444 4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1110 5.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8252 3.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4768 4.0948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.1898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5999 -4.9589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5048 -6.4357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.6535 -4.8358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.1303 -3.9308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1521 6.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8363 6.4357 0.0000 O 0 0 0 0 0 0 0 0 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
30 31 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
31 32 1 0 0 0 0
11 10 1 0 0 0 0
10 9 1 0 0 0 0
34 35 1 0 0 0 0
6 5 1 0 0 0 0
32 43 1 0 0 0 0
5 4 1 0 0 0 0
1 21 1 0 0 0 0
32 44 2 0 0 0 0
35 36 1 0 0 0 0
12 33 1 0 0 0 0
4 3 2 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
36 41 1 0 0 0 0
7 29 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
19 20 1 0 0 0 0
20 1 1 0 0 0 0
36 42 2 0 0 0 0
16 15 1 0 0 0 0
17 37 1 0 0 0 0
15 14 1 0 0 0 0
18 40 1 0 0 0 0
2 25 1 0 0 0 0
9 22 1 0 0 0 0
3 26 1 0 0 0 0
26 27 1 0 0 0 0
8 30 1 0 0 0 0
27 28 1 0 0 0 0
13 34 1 0 0 0 0
28 45 1 0 0 0 0
6 7 2 0 0 0 0
28 46 2 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 47 1 0 0 0 0
39 48 2 0 0 0 0
S SKP 7
ID BMCCPPPR0002
NAME Coproporphyrinogen III
FORMULA C36H44N4O8
EXACTMASS 660.3159
AVERAGEMASS 660.7567
SMILES C(CCc(c(C)1)c(C4)nc1Cc(c(CCC(O)=O)2)nc(Cc(c3CCC(O)=O)nc(Cc(n5)c(c(c45)CCC(O)=O)C)c(C)3)c2C)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03263
M END
