Mol:FL2FA9GM0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.3266 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3266 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1943 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1943 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7151 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7151 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7151 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7151 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1943 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1943 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3266 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3266 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2360 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2360 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7569 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7569 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7569 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7569 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2360 0.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2360 0.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2360 -1.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2360 -1.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1943 -1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1943 -1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8333 0.4365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8333 0.4365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3366 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3366 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8653 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8653 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3941 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3941 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3941 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3941 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8653 1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8653 1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3366 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3366 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2005 -0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2005 -0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8543 -0.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8543 -0.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3557 -0.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3557 -0.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8360 -0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8360 -0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2242 0.0882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2242 0.0882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7335 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7335 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0862 0.4231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0862 0.4231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3941 -0.4868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3941 -0.4868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0700 -0.7462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0700 -0.7462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8470 -0.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8470 -0.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4333 0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4333 0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7188 0.0787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7188 0.0787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 2 12 1 0 0 0 0 | + | 2 12 1 0 0 0 0 |
| − | 6 13 1 0 0 0 0 | + | 6 13 1 0 0 0 0 |
| − | 9 14 1 0 0 0 0 | + | 9 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 13 1 0 0 0 0 | + | 23 13 1 0 0 0 0 |
| − | 1 29 1 0 0 0 0 | + | 1 29 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 33 -6.3805 4.3779 | + | M SBV 1 33 -6.3805 4.3779 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9GM0001 | + | ID FL2FA9GM0001 |
| − | KNApSAcK_ID C00008418 | + | KNApSAcK_ID C00008418 |
| − | NAME Strobopinin 7-galactoside | + | NAME Strobopinin 7-galactoside |
| − | CAS_RN 129601-82-7 | + | CAS_RN 129601-82-7 |
| − | FORMULA C22H24O9 | + | FORMULA C22H24O9 |
| − | EXACTMASS 432.14203236599997 | + | EXACTMASS 432.14203236599997 |
| − | AVERAGEMASS 432.42056 | + | AVERAGEMASS 432.42056 |
| − | SMILES O=C(c42)CC(Oc(cc(c(c(O)4)C)OC(C(O)3)OC(CO)C(C3O)O)2)c(c1)cccc1 | + | SMILES O=C(c42)CC(Oc(cc(c(c(O)4)C)OC(C(O)3)OC(CO)C(C3O)O)2)c(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-0.3266 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1943 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7151 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7151 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1943 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3266 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2360 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7569 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7569 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2360 0.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2360 -1.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1943 -1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8333 0.4365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3366 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8653 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3941 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3941 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8653 1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3366 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2005 -0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8543 -0.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3557 -0.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8360 -0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2242 0.0882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7335 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0862 0.4231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3941 -0.4868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0700 -0.7462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8470 -0.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4333 0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7188 0.0787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
7 11 2 0 0 0 0
2 12 1 0 0 0 0
6 13 1 0 0 0 0
9 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 13 1 0 0 0 0
1 29 1 0 0 0 0
25 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 CH2OH
M SBV 1 33 -6.3805 4.3779
S SKP 8
ID FL2FA9GM0001
KNApSAcK_ID C00008418
NAME Strobopinin 7-galactoside
CAS_RN 129601-82-7
FORMULA C22H24O9
EXACTMASS 432.14203236599997
AVERAGEMASS 432.42056
SMILES O=C(c42)CC(Oc(cc(c(c(O)4)C)OC(C(O)3)OC(CO)C(C3O)O)2)c(c1)cccc1
M END
