Mol:BMFYB4PHr002
From Metabolomics.JP
(Difference between revisions)
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22.4623 -18.7968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | 22.4623 -18.7968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | ||
21.1091 -17.2282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | 21.1091 -17.2282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | ||
| − | 25.2321 -17.2220 0.0000 | + | 25.2321 -17.2220 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 22.4876 -17.2282 0.0000 | + | 22.4876 -17.2282 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 |
1 2 1 0 0 0 | 1 2 1 0 0 0 | ||
2 3 1 0 0 0 | 2 3 1 0 0 0 | ||
| Line 31: | Line 31: | ||
14 12 2 0 0 0 | 14 12 2 0 0 0 | ||
S SKP 7 | S SKP 7 | ||
| − | NAME | + | NAME 3-Methylbut-3-enylphosphono-hydrogen phosphate |
| + | CAS_RN 358-71-4 | ||
ID BMFYB4PHr002 | ID BMFYB4PHr002 | ||
| − | + | FORMULA C5H12O7P2 | |
| − | FORMULA | + | EXACTMASS 246.00582575800001 |
| − | EXACTMASS | + | AVERAGEMASS 246.092102 |
| − | AVERAGEMASS | + | SMILES CC(=C)CCOP(O)(=O)OP(O)(O)=O |
| − | SMILES | + | SMILES CC(=C)CCOP(O)(=O)OP(O)(O)=O |
M END | M END | ||
Latest revision as of 17:38, 16 June 2010
Copyright: ARM project http://www.metabolome.jp/ 14 13 0 0 0 0 0 0 0 0999 V2000 21.2989 -15.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1100 -15.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9212 -15.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7261 -15.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9212 -13.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2257 -15.7097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2130 -18.8345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6043 -17.2220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8598 -17.2220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4687 -15.7286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4623 -18.7968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1091 -17.2282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2321 -17.2220 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 22.4876 -17.2282 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 3 5 2 0 0 0 9 13 1 0 0 0 10 1 1 0 0 0 13 6 1 0 0 0 13 7 1 0 0 0 13 8 2 0 0 0 14 9 1 0 0 0 14 10 1 0 0 0 14 11 1 0 0 0 14 12 2 0 0 0 S SKP 7 NAME 3-Methylbut-3-enylphosphono-hydrogen phosphate CAS_RN 358-71-4 ID BMFYB4PHr002 FORMULA C5H12O7P2 EXACTMASS 246.00582575800001 AVERAGEMASS 246.092102 SMILES CC(=C)CCOP(O)(=O)OP(O)(O)=O SMILES CC(=C)CCOP(O)(=O)OP(O)(O)=O M END
