Mol:BMCCPPHM0005
From Metabolomics.JP
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 43 50 0 0 0 0 0 0 0 0999 V2000 | + | 43 50 0 0 0 0 0 0 0 0999 V2000 |
| − | 4.4013 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4013 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7226 0.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7226 0.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7226 1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7226 1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4013 1.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4013 1.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6126 2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6126 2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4013 2.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4013 2.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6218 3.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6218 3.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3355 3.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3355 3.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5560 2.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5560 2.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3447 2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3447 2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.5560 1.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.5560 1.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.2347 1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.2347 1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.2347 0.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.2347 0.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.5560 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.5560 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3447 -0.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3447 -0.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5560 -0.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5560 -0.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3355 -1.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3355 -1.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6218 -1.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6218 -1.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4013 -0.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4013 -0.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6126 -0.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6126 -0.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9786 0.8613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9786 0.8613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9786 1.8613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9786 1.8613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.9786 0.8613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9786 0.8613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9786 -0.1387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9786 -0.1387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9135 -0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9135 -0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9135 1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9135 1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0340 3.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0340 3.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.9232 3.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9232 3.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5165 4.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5165 4.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.0437 1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0437 1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.0437 -0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0437 -0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.9573 0.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.9573 0.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.7663 -0.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.7663 -0.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.6798 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.6798 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.9232 -2.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9232 -2.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5165 -3.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5165 -3.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1043 -3.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1043 -3.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0988 -3.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0988 -3.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0340 -2.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0340 -2.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9786 0.8613 0.0000 Fe 0 2 0 0 0 0 0 0 0 0 0 0 | + | 5.9786 0.8613 0.0000 Fe 0 2 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6617 -1.2589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6617 -1.2589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.6975 -4.8399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.6975 -4.8399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4 21 1 0 0 0 0 | + | 4 21 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 21 1 1 0 0 0 0 | + | 21 1 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 19 2 0 0 0 0 | + | 20 19 2 0 0 0 0 |
| − | 19 24 1 0 0 0 0 | + | 19 24 1 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 24 16 2 0 0 0 0 | + | 24 16 2 0 0 0 0 |
| − | 16 15 1 0 0 0 0 | + | 16 15 1 0 0 0 0 |
| − | 15 14 2 0 0 0 0 | + | 15 14 2 0 0 0 0 |
| − | 14 23 1 0 0 0 0 | + | 14 23 1 0 0 0 0 |
| − | 23 11 1 0 0 0 0 | + | 23 11 1 0 0 0 0 |
| − | 11 10 2 0 0 0 0 | + | 11 10 2 0 0 0 0 |
| − | 10 9 1 0 0 0 0 | + | 10 9 1 0 0 0 0 |
| − | 9 22 2 0 0 0 0 | + | 9 22 2 0 0 0 0 |
| − | 19 18 1 0 0 0 0 | + | 19 18 1 0 0 0 0 |
| − | 18 17 2 0 0 0 0 | + | 18 17 2 0 0 0 0 |
| − | 17 16 1 0 0 0 0 | + | 17 16 1 0 0 0 0 |
| − | 14 13 1 0 0 0 0 | + | 14 13 1 0 0 0 0 |
| − | 13 12 2 0 0 0 0 | + | 13 12 2 0 0 0 0 |
| − | 12 11 1 0 0 0 0 | + | 12 11 1 0 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 8 7 2 0 0 0 0 | + | 8 7 2 0 0 0 0 |
| − | 7 6 1 0 0 0 0 | + | 7 6 1 0 0 0 0 |
| − | 21 41 1 0 0 0 0 | + | 21 41 1 0 0 0 0 |
| − | 41 23 1 0 0 0 0 | + | 41 23 1 0 0 0 0 |
| − | 22 41 1 0 0 0 0 | + | 22 41 1 0 0 0 0 |
| − | 41 24 1 0 0 0 0 | + | 41 24 1 0 0 0 0 |
| − | 2 25 1 0 0 0 0 | + | 2 25 1 0 0 0 0 |
| − | 3 26 1 0 0 0 0 | + | 3 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 7 28 1 0 0 0 0 | + | 7 28 1 0 0 0 0 |
| − | 8 29 1 0 0 0 0 | + | 8 29 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 12 31 1 0 0 0 0 | + | 12 31 1 0 0 0 0 |
| − | 13 32 1 0 0 0 0 | + | 13 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 42 2 0 0 0 0 | + | 34 42 2 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 17 36 1 0 0 0 0 | + | 17 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 38 43 2 0 0 0 0 | + | 38 43 2 0 0 0 0 |
| − | 18 40 1 0 0 0 0 | + | 18 40 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCPPHM0005 | + | ID BMCCPPHM0005 |
| − | NAME | + | NAME 4- [7,12-Di(ethenyl) -3,8,13,17-tetramethyl-18- (3-oxobutyl) porphyrin-21,23-diid-2-yl] butan-2-one; iron(4+) |
| − | FORMULA C36H36FeN4O2 | + | FORMULA C36H36FeN4O2 |
| − | EXACTMASS 612.2187 | + | EXACTMASS 612.2187 |
| − | AVERAGEMASS 612.5418 | + | AVERAGEMASS 612.5418 |
| − | SMILES C(C(CCC(C)=O)=8)(C=6)=N(C(C8C)=1)[Fe+2](N=43)(n57)n(c2C=C3C(C)=C(C4C=c5c(C)c(CCC(C)=O)c67)C=C)c(c(c(C=C)2)C)C1 | + | SMILES C(C(CCC(C)=O)=8)(C=6)=N(C(C8C)=1)[Fe+2](N=43)(n57)n(c2C=C3C(C)=C(C4C=c5c(C)c(CCC(C)=O)c67)C=C)c(c(c(C=C)2)C)C1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00998 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00998 |
M END | M END | ||
| − | |||
Latest revision as of 11:43, 16 June 2010
Copyright: ARM project http://www.metabolome.jp/
43 50 0 0 0 0 0 0 0 0999 V2000
4.4013 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7226 0.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7226 1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4013 1.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6126 2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4013 2.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6218 3.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3355 3.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5560 2.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3447 2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5560 1.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2347 1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2347 0.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5560 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3447 -0.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5560 -0.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3355 -1.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6218 -1.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4013 -0.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6126 -0.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9786 0.8613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9786 1.8613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9786 0.8613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9786 -0.1387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9135 -0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9135 1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0340 3.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9232 3.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5165 4.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0437 1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0437 -0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9573 0.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7663 -0.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6798 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9232 -2.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5165 -3.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1043 -3.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0988 -3.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0340 -2.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9786 0.8613 0.0000 Fe 0 2 0 0 0 0 0 0 0 0 0 0
10.6617 -1.2589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6975 -4.8399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 21 1 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 22 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
19 24 1 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 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
23 11 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
19 18 1 0 0 0 0
18 17 2 0 0 0 0
17 16 1 0 0 0 0
14 13 1 0 0 0 0
13 12 2 0 0 0 0
12 11 1 0 0 0 0
9 8 1 0 0 0 0
8 7 2 0 0 0 0
7 6 1 0 0 0 0
21 41 1 0 0 0 0
41 23 1 0 0 0 0
22 41 1 0 0 0 0
41 24 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
7 28 1 0 0 0 0
8 29 1 0 0 0 0
29 30 2 0 0 0 0
12 31 1 0 0 0 0
13 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 42 2 0 0 0 0
34 35 1 0 0 0 0
17 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
38 43 2 0 0 0 0
18 40 1 0 0 0 0
S SKP 7
ID BMCCPPHM0005
NAME 4- [7,12-Di(ethenyl) -3,8,13,17-tetramethyl-18- (3-oxobutyl) porphyrin-21,23-diid-2-yl] butan-2-one; iron(4+)
FORMULA C36H36FeN4O2
EXACTMASS 612.2187
AVERAGEMASS 612.5418
SMILES C(C(CCC(C)=O)=8)(C=6)=N(C(C8C)=1)[Fe+2](N=43)(n57)n(c2C=C3C(C)=C(C4C=c5c(C)c(CCC(C)=O)c67)C=C)c(c(c(C=C)2)C)C1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00998
M END
