Mol:FL2FA9GM0002
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 |
| − | -0.1435 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1435 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3773 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3773 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8982 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8982 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8982 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8982 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3773 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3773 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1435 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1435 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4191 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4191 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9400 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9400 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9400 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9400 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4191 0.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4191 0.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4191 -1.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4191 -1.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3773 -1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3773 -1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6503 0.4365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6503 0.4365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5197 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5197 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0484 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0484 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5771 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5771 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5771 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5771 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0484 1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0484 1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5197 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5197 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0175 -0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0175 -0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6712 -0.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6712 -0.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1726 -0.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1726 -0.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6530 -0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6530 -0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0411 0.0882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0411 0.0882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5504 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5504 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5771 -0.1535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5771 -0.1535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2110 -0.4868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2110 -0.4868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8869 -0.7462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8869 -0.7462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6639 -0.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6639 -0.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2502 0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2502 0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5357 0.0787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5357 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 -6.1974 4.3779 | + | M SBV 1 33 -6.1974 4.3779 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9GM0002 | + | ID FL2FA9GM0002 |
| − | KNApSAcK_ID C00008419 | + | KNApSAcK_ID C00008419 |
| − | NAME Strobopinin 7-glucoside | + | NAME Strobopinin 7-glucoside |
| − | CAS_RN 107140-40-9 | + | CAS_RN 107140-40-9 |
| − | 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
-0.1435 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3773 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8982 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8982 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3773 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1435 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4191 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9400 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9400 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4191 0.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4191 -1.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3773 -1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6503 0.4365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5197 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0484 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5771 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5771 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0484 1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5197 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0175 -0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6712 -0.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1726 -0.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6530 -0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0411 0.0882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5504 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5771 -0.1535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2110 -0.4868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8869 -0.7462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6639 -0.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2502 0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5357 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 -6.1974 4.3779
S SKP 8
ID FL2FA9GM0002
KNApSAcK_ID C00008419
NAME Strobopinin 7-glucoside
CAS_RN 107140-40-9
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
