Mol:FL1AAGGS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.0911 -0.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0911 -0.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0911 0.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0911 0.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4281 0.5892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4281 0.5892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9473 0.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9473 0.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9473 -0.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9473 -0.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4281 -0.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4281 -0.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6613 -0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6613 -0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0137 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0137 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6613 0.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6613 0.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4665 0.5891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4665 0.5891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4555 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4555 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3393 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3393 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6396 -0.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6396 -0.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2402 -0.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2402 -0.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5404 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5404 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2402 0.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2402 0.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6396 0.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6396 0.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1399 -0.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1399 -0.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8056 -1.0341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8056 -1.0341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5399 1.0289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5399 1.0289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6261 0.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6261 0.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2549 0.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2549 0.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7204 0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7204 0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2047 0.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2047 0.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5795 0.6720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5795 0.6720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0471 0.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0471 0.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1399 0.2771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1399 0.2771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8336 0.0556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8336 0.0556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4142 -0.2225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4142 -0.2225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4281 -1.2094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4281 -1.2094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5399 -1.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5399 -1.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4455 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4455 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6486 0.9959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6486 0.9959 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 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 9 2 1 0 0 0 0 |
| − | 4 10 1 0 0 0 0 | + | 4 10 1 0 0 0 0 |
| − | 8 11 2 0 0 0 0 | + | 8 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 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 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 |
| − | 24 10 1 0 0 0 0 | + | 24 10 1 0 0 0 0 |
| − | 6 30 1 0 0 0 0 | + | 6 30 1 0 0 0 0 |
| − | 14 31 1 0 0 0 0 | + | 14 31 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 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 32 33 | + | M SAL 1 2 32 33 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 35 -6.8826 6.1459 | + | M SBV 1 35 -6.8826 6.1459 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1AAGGS0002 | + | ID FL1AAGGS0002 |
| − | KNApSAcK_ID C00008060 | + | KNApSAcK_ID C00008060 |
| − | NAME Bracteatin 6-glucoside | + | NAME Bracteatin 6-glucoside |
| − | CAS_RN 7056-91-9 | + | CAS_RN 7056-91-9 |
| − | FORMULA C21H20O12 | + | FORMULA C21H20O12 |
| − | EXACTMASS 464.095476104 | + | EXACTMASS 464.095476104 |
| − | AVERAGEMASS 464.37629999999996 | + | AVERAGEMASS 464.37629999999996 |
| − | SMILES c(c3)(O)c(c1=O)c(cc3OC(O4)C(O)C(O)C(O)C4CO)oc1=Cc(c2)cc(O)c(O)c2O | + | SMILES c(c3)(O)c(c1=O)c(cc3OC(O4)C(O)C(O)C(O)C4CO)oc1=Cc(c2)cc(O)c(O)c2O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
0.0911 -0.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0911 0.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4281 0.5892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9473 0.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9473 -0.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4281 -0.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6613 -0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0137 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6613 0.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4665 0.5891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4555 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3393 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6396 -0.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2402 -0.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5404 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2402 0.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6396 0.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1399 -0.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8056 -1.0341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5399 1.0289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6261 0.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2549 0.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7204 0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2047 0.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5795 0.6720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0471 0.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1399 0.2771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8336 0.0556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4142 -0.2225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4281 -1.2094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5399 -1.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4455 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6486 0.9959 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
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 2 1 0 0 0 0
4 10 1 0 0 0 0
8 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
15 18 1 0 0 0 0
7 19 2 0 0 0 0
16 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 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
24 10 1 0 0 0 0
6 30 1 0 0 0 0
14 31 1 0 0 0 0
26 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 35
M SMT 1 ^CH2OH
M SBV 1 35 -6.8826 6.1459
S SKP 8
ID FL1AAGGS0002
KNApSAcK_ID C00008060
NAME Bracteatin 6-glucoside
CAS_RN 7056-91-9
FORMULA C21H20O12
EXACTMASS 464.095476104
AVERAGEMASS 464.37629999999996
SMILES c(c3)(O)c(c1=O)c(cc3OC(O4)C(O)C(O)C(O)C4CO)oc1=Cc(c2)cc(O)c(O)c2O
M END
