Mol:FL2FA9GS0008
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 |
| − | -1.5411 0.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5411 0.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0202 0.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0202 0.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4993 0.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4993 0.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4993 1.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4993 1.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0202 1.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0202 1.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5411 1.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5411 1.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0216 0.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0216 0.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5425 0.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5425 0.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5425 1.4127 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.5425 1.4127 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0216 1.7134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0216 1.7134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0216 -0.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0216 -0.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0202 -0.0904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0202 -0.0904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1222 1.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1222 1.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6509 1.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6509 1.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1796 1.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1796 1.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1796 2.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1796 2.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6509 2.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6509 2.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1222 2.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1222 2.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8349 -2.1550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -1.8349 -2.1550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -1.2528 -2.0048 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.2528 -2.0048 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.2805 -1.4101 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.2805 -1.4101 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -0.9899 -0.8969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.9899 -0.8969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.6283 -1.1222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6283 -1.1222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5720 -1.7419 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.5720 -1.7419 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.8349 -2.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8349 -2.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7472 -1.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7472 -1.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0598 -2.2804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0598 -2.2804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1796 -1.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1796 -1.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0799 -1.7645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0799 -1.7645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8983 2.0314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8983 2.0314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3983 2.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3983 2.8974 0.0000 C 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 |
| − | 9 13 1 0 0 0 0 | + | 9 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 21 26 1 0 0 0 0 | + | 21 26 1 0 0 0 0 |
| − | 22 12 1 0 0 0 0 | + | 22 12 1 0 0 0 0 |
| − | 20 27 1 0 0 0 0 | + | 20 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 6 30 1 0 0 0 0 | + | 6 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 28 29 | + | M SAL 2 2 28 29 |
| − | M SBL 2 1 31 | + | M SBL 2 1 31 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 31 -2.1796 -1.3291 | + | M SVB 2 31 -2.1796 -1.3291 |
| − | 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 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 33 -1.8983 2.0314 | + | M SVB 1 33 -1.8983 2.0314 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9GS0008 | + | ID FL2FA9GS0008 |
| − | KNApSAcK_ID C00008484 | + | KNApSAcK_ID C00008484 |
| − | NAME Pinostrobin 5-O-glucoside | + | NAME Pinostrobin 5-O-glucoside |
| − | CAS_RN 115799-14-9 | + | CAS_RN 115799-14-9 |
| − | FORMULA C22H24O9 | + | FORMULA C22H24O9 |
| − | EXACTMASS 432.14203236599997 | + | EXACTMASS 432.14203236599997 |
| − | AVERAGEMASS 432.42056 | + | AVERAGEMASS 432.42056 |
| − | SMILES O(c(c42)cc(OC)cc2OC(CC4=O)c(c3)cccc3)[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O | + | SMILES O(c(c42)cc(OC)cc2OC(CC4=O)c(c3)cccc3)[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O |
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
-1.5411 0.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0202 0.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4993 0.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4993 1.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0202 1.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5411 1.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0216 0.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5425 0.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5425 1.4127 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0216 1.7134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0216 -0.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0202 -0.0904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1222 1.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6509 1.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1796 1.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1796 2.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6509 2.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1222 2.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8349 -2.1550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.2528 -2.0048 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.2805 -1.4101 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.9899 -0.8969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6283 -1.1222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5720 -1.7419 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.8349 -2.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7472 -1.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0598 -2.2804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1796 -1.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0799 -1.7645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8983 2.0314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3983 2.8974 0.0000 C 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
9 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
21 26 1 0 0 0 0
22 12 1 0 0 0 0
20 27 1 0 0 0 0
24 28 1 0 0 0 0
28 29 1 0 0 0 0
6 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 28 29
M SBL 2 1 31
M SMT 2 CH2OH
M SVB 2 31 -2.1796 -1.3291
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 OCH3
M SVB 1 33 -1.8983 2.0314
S SKP 8
ID FL2FA9GS0008
KNApSAcK_ID C00008484
NAME Pinostrobin 5-O-glucoside
CAS_RN 115799-14-9
FORMULA C22H24O9
EXACTMASS 432.14203236599997
AVERAGEMASS 432.42056
SMILES O(c(c42)cc(OC)cc2OC(CC4=O)c(c3)cccc3)[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O
M END
