Mol:FL3FA9GS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.5702 0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5702 0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5702 0.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5702 0.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0139 -0.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0139 -0.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5424 0.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5424 0.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5424 0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5424 0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0139 1.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0139 1.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0987 -0.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0987 -0.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6550 0.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6550 0.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6550 0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6550 0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0987 1.0109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0987 1.0109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0987 -0.7746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0987 -0.7746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2111 1.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2111 1.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7781 0.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7781 0.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3451 1.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3451 1.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3451 1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3451 1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7781 1.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7781 1.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2111 1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2111 1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0139 -0.9159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0139 -0.9159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1263 1.0108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1263 1.0108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7977 -1.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7977 -1.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1786 -1.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1786 -1.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4179 -1.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4179 -1.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5425 -1.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5425 -1.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1615 -0.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1615 -0.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9223 -1.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9223 -1.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3451 -1.7346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3451 -1.7346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8418 -1.8062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8418 -1.8062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7977 -1.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7977 -1.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0349 -0.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0349 -0.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8318 -0.5752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8318 -0.5752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 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 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 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 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 32 -7.9181 3.2744 | + | M SBV 1 32 -7.9181 3.2744 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FA9GS0001 | + | ID FL3FA9GS0001 |
| − | KNApSAcK_ID C00004109 | + | KNApSAcK_ID C00004109 |
| − | NAME Toringin | + | NAME Toringin |
| − | CAS_RN 1329-10-8 | + | CAS_RN 1329-10-8 |
| − | FORMULA C21H20O9 | + | FORMULA C21H20O9 |
| − | EXACTMASS 416.11073223799997 | + | EXACTMASS 416.11073223799997 |
| − | AVERAGEMASS 416.37809999999996 | + | AVERAGEMASS 416.37809999999996 |
| − | SMILES C(C1Oc(c4)c(C(=O)3)c(cc(O)4)OC(=C3)c(c2)cccc2)(O)C(O)C(O)C(O1)CO | + | SMILES C(C1Oc(c4)c(C(=O)3)c(cc(O)4)OC(=C3)c(c2)cccc2)(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/
30 33 0 0 0 0 0 0 0 0999 V2000
-0.5702 0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5702 0.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0139 -0.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5424 0.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5424 0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0139 1.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0987 -0.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6550 0.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6550 0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0987 1.0109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0987 -0.7746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2111 1.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7781 0.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3451 1.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3451 1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7781 1.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2111 1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0139 -0.9159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1263 1.0108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7977 -1.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1786 -1.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4179 -1.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5425 -1.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1615 -0.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9223 -1.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3451 -1.7346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8418 -1.8062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7977 -1.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0349 -0.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8318 -0.5752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 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 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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
3 18 1 0 0 0 0
1 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 18 1 0 0 0 0
25 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 ^CH2OH
M SBV 1 32 -7.9181 3.2744
S SKP 8
ID FL3FA9GS0001
KNApSAcK_ID C00004109
NAME Toringin
CAS_RN 1329-10-8
FORMULA C21H20O9
EXACTMASS 416.11073223799997
AVERAGEMASS 416.37809999999996
SMILES C(C1Oc(c4)c(C(=O)3)c(cc(O)4)OC(=C3)c(c2)cccc2)(O)C(O)C(O)C(O1)CO
M END
