Mol:FLIE1ANP0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 30 0 0 0 0 0 0 0 0999 V2000 | + | 26 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.6556 0.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6556 0.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6556 0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6556 0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0993 -0.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0993 -0.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5430 0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5430 0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5430 0.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5430 0.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0993 1.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0993 1.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9867 -0.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9867 -0.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4304 0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4304 0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4304 0.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4304 0.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9867 1.1668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9867 1.1668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1257 -0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1257 -0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1257 -0.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1257 -0.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7205 -1.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7205 -1.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3152 -0.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3152 -0.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3152 -0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3152 -0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7205 0.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7205 0.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1257 1.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1257 1.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9850 -0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9850 -0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9094 -1.1477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9094 -1.1477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5048 -0.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5048 -0.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5048 -0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5048 -0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9100 0.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9100 0.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5048 -1.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5048 -1.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0129 -0.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0129 -0.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0129 1.4644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0129 1.4644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5129 2.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5129 2.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 9 17 2 0 0 0 0 | + | 9 17 2 0 0 0 0 |
| − | 7 18 1 0 0 0 0 | + | 7 18 1 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 15 1 0 0 0 0 | + | 22 15 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 1 25 1 0 0 0 0 | + | 1 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 29 | + | M SBL 1 1 29 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 29 -3.0129 1.4644 | + | M SVB 1 29 -3.0129 1.4644 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIE1ANP0005 | + | ID FLIE1ANP0005 |
| − | KNApSAcK_ID C00010049 | + | KNApSAcK_ID C00010049 |
| − | NAME Tuberostan | + | NAME Tuberostan |
| − | CAS_RN 97165-25-8 | + | CAS_RN 97165-25-8 |
| − | FORMULA C21H16O5 | + | FORMULA C21H16O5 |
| − | EXACTMASS 348.099773622 | + | EXACTMASS 348.099773622 |
| − | AVERAGEMASS 348.34874 | + | AVERAGEMASS 348.34874 |
| − | SMILES c(c5OC)cc(c41)c(c5)OC(c(c(c3)c(o4)cc(c32)OC(C=C2)(C)C)1)=O | + | SMILES c(c5OC)cc(c41)c(c5)OC(c(c(c3)c(o4)cc(c32)OC(C=C2)(C)C)1)=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 30 0 0 0 0 0 0 0 0999 V2000
-2.6556 0.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6556 0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0993 -0.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5430 0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5430 0.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0993 1.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9867 -0.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4304 0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4304 0.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9867 1.1668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1257 -0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1257 -0.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7205 -1.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3152 -0.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3152 -0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7205 0.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1257 1.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9850 -0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9094 -1.1477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5048 -0.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5048 -0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9100 0.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5048 -1.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0129 -0.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0129 1.4644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5129 2.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
9 17 2 0 0 0 0
7 18 1 0 0 0 0
12 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 15 1 0 0 0 0
20 23 1 0 0 0 0
20 24 1 0 0 0 0
1 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 29
M SMT 1 OCH3
M SVB 1 29 -3.0129 1.4644
S SKP 8
ID FLIE1ANP0005
KNApSAcK_ID C00010049
NAME Tuberostan
CAS_RN 97165-25-8
FORMULA C21H16O5
EXACTMASS 348.099773622
AVERAGEMASS 348.34874
SMILES c(c5OC)cc(c41)c(c5)OC(c(c(c3)c(o4)cc(c32)OC(C=C2)(C)C)1)=O
M END
