Mol:FLIDBDNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 32 0 0 0 0 0 0 0 0999 V2000 | + | 28 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8526 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8526 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8526 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8526 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2963 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2963 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7400 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7400 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7400 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7400 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2963 1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2963 1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1837 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1837 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3726 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3726 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3726 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3726 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1837 1.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1837 1.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9287 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9287 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9287 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9287 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5235 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5235 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1183 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1183 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1183 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1183 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5235 0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5235 0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1778 -0.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1778 -0.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4089 1.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4089 1.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9652 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9652 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9652 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9652 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4089 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4089 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9652 1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9652 1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4270 0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4270 0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7125 -1.2648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7125 -1.2648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7327 -0.3956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7327 -0.3956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0182 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0182 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7125 0.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7125 0.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4270 -0.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4270 -0.3044 0.0000 C 0 0 0 0 0 0 0 0 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 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 1 0 0 0 0 | + | 11 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 2 1 0 0 0 0 | + | 21 2 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 14 24 1 0 0 0 0 | + | 14 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 15 27 1 0 0 0 0 | + | 15 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 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 SBV 1 29 -6.4305 4.4455 | + | M SBV 1 29 -6.4305 4.4455 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 27 28 | + | M SAL 2 2 27 28 |
| − | M SBL 2 1 31 | + | M SBL 2 1 31 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 31 -5.3999 4.9491 | + | M SBV 2 31 -5.3999 4.9491 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDBDNP0001 | + | ID FLIDBDNP0001 |
| − | KNApSAcK_ID C00009661 | + | KNApSAcK_ID C00009661 |
| − | NAME Desmodin | + | NAME Desmodin |
| − | CAS_RN 56257-27-3 | + | CAS_RN 56257-27-3 |
| − | FORMULA C22H22O6 | + | FORMULA C22H22O6 |
| − | EXACTMASS 382.141638436 | + | EXACTMASS 382.141638436 |
| − | AVERAGEMASS 382.40648000000004 | + | AVERAGEMASS 382.40648000000004 |
| − | SMILES C(O1)(C=Cc(c2OC)c1cc(O3)c2C(O5)C(c(c54)cc(OC)c(O)c4)C3)(C)C | + | SMILES C(O1)(C=Cc(c2OC)c1cc(O3)c2C(O5)C(c(c54)cc(OC)c(O)c4)C3)(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 32 0 0 0 0 0 0 0 0999 V2000
-1.8526 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8526 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2963 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7400 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7400 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2963 1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1837 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3726 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3726 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1837 1.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9287 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9287 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5235 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1183 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1183 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5235 0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1778 -0.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4089 1.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9652 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9652 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4089 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9652 1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4270 0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7125 -1.2648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7327 -0.3956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0182 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7125 0.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4270 -0.3044 0.0000 C 0 0 0 0 0 0 0 0 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 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 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 11 2 0 0 0 0
7 17 1 0 0 0 0
1 2 1 0 0 0 0
12 17 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 2 1 0 0 0 0
19 22 1 0 0 0 0
19 23 1 0 0 0 0
14 24 1 0 0 0 0
3 25 1 0 0 0 0
25 26 1 0 0 0 0
15 27 1 0 0 0 0
27 28 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 SBV 1 29 -6.4305 4.4455
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 27 28
M SBL 2 1 31
M SMT 2 OCH3
M SBV 2 31 -5.3999 4.9491
S SKP 8
ID FLIDBDNP0001
KNApSAcK_ID C00009661
NAME Desmodin
CAS_RN 56257-27-3
FORMULA C22H22O6
EXACTMASS 382.141638436
AVERAGEMASS 382.40648000000004
SMILES C(O1)(C=Cc(c2OC)c1cc(O3)c2C(O5)C(c(c54)cc(OC)c(O)c4)C3)(C)C
M END
