Mol:FL3FADNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 30 0 0 0 0 0 0 0 0999 V2000 | + | 27 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6384 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6384 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6384 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6384 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0821 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0821 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5258 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5258 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5258 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5258 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0821 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0821 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0305 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0305 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5868 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5868 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5868 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5868 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0305 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0305 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0305 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0305 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1429 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1429 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7099 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7099 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2769 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2769 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2769 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2769 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7099 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7099 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1429 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1429 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0821 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0821 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0821 0.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0821 0.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6384 1.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6384 1.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1947 0.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1947 0.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1947 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1947 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8176 0.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8176 0.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5900 1.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5900 1.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8176 1.0169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8176 1.0169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9933 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9933 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7078 1.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7078 1.3299 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 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 1 1 0 0 0 0 | + | 22 1 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 25 15 1 0 0 0 0 | + | 25 15 1 0 0 0 0 |
| − | 16 26 1 0 0 0 0 | + | 16 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 29 | + | M SBL 1 1 29 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 29 -7.2083 4.4200 | + | M SBV 1 29 -7.2083 4.4200 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FADNP0001 | + | ID FL3FADNP0001 |
| − | KNApSAcK_ID C00004058 | + | KNApSAcK_ID C00004058 |
| − | NAME Racemoflavone | + | NAME Racemoflavone |
| − | CAS_RN 106055-12-3 | + | CAS_RN 106055-12-3 |
| − | FORMULA C21H18O6 | + | FORMULA C21H18O6 |
| − | EXACTMASS 366.110338308 | + | EXACTMASS 366.110338308 |
| − | AVERAGEMASS 366.36402 | + | AVERAGEMASS 366.36402 |
| − | SMILES O(c21)C(c(c4)cc(c(O)c4)OC)=CC(=O)c(c(O)cc(O3)c2C=CC(C)(C)3)1 | + | SMILES O(c21)C(c(c4)cc(c(O)c4)OC)=CC(=O)c(c(O)cc(O3)c2C=CC(C)(C)3)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-1.6384 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6384 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0821 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5258 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5258 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0821 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0305 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5868 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5868 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0305 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0305 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1429 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7099 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2769 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2769 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7099 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1429 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0821 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0821 0.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6384 1.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1947 0.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1947 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8176 0.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5900 1.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8176 1.0169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9933 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7078 1.3299 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 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
6 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 1 1 0 0 0 0
21 23 1 0 0 0 0
21 24 1 0 0 0 0
25 15 1 0 0 0 0
16 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 29
M SMT 1 OCH3
M SBV 1 29 -7.2083 4.4200
S SKP 8
ID FL3FADNP0001
KNApSAcK_ID C00004058
NAME Racemoflavone
CAS_RN 106055-12-3
FORMULA C21H18O6
EXACTMASS 366.110338308
AVERAGEMASS 366.36402
SMILES O(c21)C(c(c4)cc(c(O)c4)OC)=CC(=O)c(c(O)cc(O3)c2C=CC(C)(C)3)1
M END
