Mol:BMFYB8PHr001
From Metabolomics.JP
(Difference between revisions)
| Line 40: | Line 40: | ||
16 18 1 0 0 0 0 | 16 18 1 0 0 0 0 | ||
16 19 2 0 0 0 0 | 16 19 2 0 0 0 0 | ||
| − | S SKP | + | S SKP 8 |
| − | NAME | + | ID BMFYB8PHr001 |
| + | NAME [(2E) -3,7-Dimethylocta-2,6-dienyl] phosphono hydrogen phosphate | ||
| + | CAS_RN 763-10-0 | ||
ID BMFYB8PHr001 | ID BMFYB8PHr001 | ||
FORMULA C10H20O7P2 | FORMULA C10H20O7P2 | ||
EXACTMASS 314.068426014 | EXACTMASS 314.068426014 | ||
| + | AVERAGEMASS 314.20912200000004 | ||
| + | SMILES CC(C)=CCCC(C)=CCOP(O)(=O)OP(O)(O)=O | ||
AVERAGEMASS 314.20912200000004 | AVERAGEMASS 314.20912200000004 | ||
SMILES CC(C)=CCCC(C)=CCOP(O)(=O)OP(O)(O)=O | SMILES CC(C)=CCCC(C)=CCOP(O)(=O)OP(O)(O)=O | ||
M END | M END | ||
Revision as of 09:54, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
19 18 0 0 0 0 0 0 0 0999 V2000
4.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1962 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -2.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -1.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3660 -2.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -3.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8 7 1 0 0 0 0
7 6 2 0 0 0 0
7 10 1 0 0 0 0
6 5 1 0 0 0 0
5 4 1 0 0 0 0
4 3 1 0 0 0 0
3 9 1 0 0 0 0
3 2 2 0 0 0 0
2 1 1 0 0 0 0
1 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
12 14 1 0 0 0 0
12 15 2 0 0 0 0
13 16 1 0 0 0 0
16 17 1 0 0 0 0
16 18 1 0 0 0 0
16 19 2 0 0 0 0
S SKP 8
ID BMFYB8PHr001
NAME [(2E) -3,7-Dimethylocta-2,6-dienyl] phosphono hydrogen phosphate
CAS_RN 763-10-0
ID BMFYB8PHr001
FORMULA C10H20O7P2
EXACTMASS 314.068426014
AVERAGEMASS 314.20912200000004
SMILES CC(C)=CCCC(C)=CCOP(O)(=O)OP(O)(O)=O
AVERAGEMASS 314.20912200000004
SMILES CC(C)=CCCC(C)=CCOP(O)(=O)OP(O)(O)=O
M END
