Mol:FL1C3CGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0955 0.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0955 0.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0955 0.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0955 0.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5415 -0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5415 -0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0125 0.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0125 0.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0125 0.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0125 0.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5415 1.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5415 1.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5662 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5662 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1187 0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1187 0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6701 -0.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6701 -0.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2202 0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2202 0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7586 -0.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7586 -0.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2970 0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2970 0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2970 0.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2970 0.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7586 1.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7586 1.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2202 0.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2202 0.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5662 -0.8701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5662 -0.8701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5415 -0.8716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5415 -0.8716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6492 1.0470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6492 1.0470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8352 1.0186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8352 1.0186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4481 -0.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4481 -0.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1018 -0.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1018 -0.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6032 -0.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6032 -0.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0836 -0.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0836 -0.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4717 -0.2127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4717 -0.2127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9810 -0.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9810 -0.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8352 -0.5280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8352 -0.5280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6416 -0.7878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6416 -0.7878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3176 -1.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3176 -1.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5804 -0.2828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5804 -0.2828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8352 -0.2245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8352 -0.2245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0281 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0281 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8250 0.2164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8250 0.2164 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 |
| − | 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 11 2 0 0 0 0 | + | 10 11 2 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 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 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 29 2 1 0 0 0 0 | + | 29 2 1 0 0 0 0 |
| − | 12 30 1 0 0 0 0 | + | 12 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 33 -8.9553 5.3539 | + | M SBV 1 33 -8.9553 5.3539 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C3CGS0001 | + | ID FL1C3CGS0001 |
| − | KNApSAcK_ID C00007892 | + | KNApSAcK_ID C00007892 |
| − | NAME Okanin 3'-glucoside | + | NAME Okanin 3'-glucoside |
| − | CAS_RN 115070-76-3 | + | CAS_RN 115070-76-3 |
| − | FORMULA C21H22O11 | + | FORMULA C21H22O11 |
| − | EXACTMASS 450.116211546 | + | EXACTMASS 450.116211546 |
| − | AVERAGEMASS 450.39278 | + | AVERAGEMASS 450.39278 |
| − | SMILES C(C1Oc(c2O)c(ccc2C(=O)C=Cc(c3)cc(c(O)c3)O)O)(O)C(O)C(O)C(O1)CO | + | SMILES C(C1Oc(c2O)c(ccc2C(=O)C=Cc(c3)cc(c(O)c3)O)O)(O)C(O)C(O)C(O1)CO |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-1.0955 0.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0955 0.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5415 -0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0125 0.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0125 0.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5415 1.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5662 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1187 0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6701 -0.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2202 0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7586 -0.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2970 0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2970 0.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7586 1.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2202 0.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5662 -0.8701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5415 -0.8716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6492 1.0470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8352 1.0186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4481 -0.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1018 -0.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6032 -0.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0836 -0.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4717 -0.2127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9810 -0.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8352 -0.5280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6416 -0.7878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3176 -1.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5804 -0.2828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8352 -0.2245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0281 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8250 0.2164 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
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 11 2 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 10 1 0 0 0 0
7 16 2 0 0 0 0
3 17 1 0 0 0 0
1 18 1 0 0 0 0
13 19 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 29 1 0 0 0 0
29 2 1 0 0 0 0
12 30 1 0 0 0 0
25 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 33
M SMT 1 ^CH2OH
M SBV 1 33 -8.9553 5.3539
S SKP 8
ID FL1C3CGS0001
KNApSAcK_ID C00007892
NAME Okanin 3'-glucoside
CAS_RN 115070-76-3
FORMULA C21H22O11
EXACTMASS 450.116211546
AVERAGEMASS 450.39278
SMILES C(C1Oc(c2O)c(ccc2C(=O)C=Cc(c3)cc(c(O)c3)O)O)(O)C(O)C(O)C(O1)CO
M END
