Mol:FL3FF8GS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.0004 -0.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0004 -0.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0004 -1.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0004 -1.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7015 -1.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7015 -1.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4025 -1.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4025 -1.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4025 -0.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4025 -0.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7015 0.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7015 0.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1036 -1.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1036 -1.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8047 -1.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8047 -1.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8047 -0.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8047 -0.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1036 0.1234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1036 0.1234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1036 -2.2757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1036 -2.2757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5055 0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5055 0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2200 -0.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2200 -0.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9345 0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9345 0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9345 0.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9345 0.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2200 1.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2200 1.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5055 0.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5055 0.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8070 0.1848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8070 0.1848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0469 0.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0469 0.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4058 -0.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4058 -0.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4826 -0.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4826 -0.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5918 -0.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5918 -0.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2391 0.4712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2391 0.4712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0468 0.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0468 0.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9345 -0.2111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9345 -0.2111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4053 -0.5936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4053 -0.5936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7047 -0.8278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7047 -0.8278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7910 1.3607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7910 1.3607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7015 -2.2140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7015 -2.2140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7779 0.7185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7779 0.7185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8037 0.7185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8037 0.7185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2650 1.6067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2650 1.6067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7015 0.8401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7015 0.8401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2971 2.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2971 2.2757 0.0000 C 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 |
| − | 18 1 1 0 0 0 0 | + | 18 1 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 |
| − | 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 18 1 0 0 0 0 | + | 22 18 1 0 0 0 0 |
| − | 17 28 1 0 0 0 0 | + | 17 28 1 0 0 0 0 |
| − | 3 29 1 0 0 0 0 | + | 3 29 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 6 33 1 0 0 0 0 | + | 6 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 3 30 31 32 | + | M SAL 1 3 30 31 32 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 ^ COOH | + | M SMT 1 ^ COOH |
| − | M SBV 1 35 0.7312 -0.6737 | + | M SBV 1 35 0.7312 -0.6737 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 33 34 | + | M SAL 2 2 33 34 |
| − | M SBL 2 1 37 | + | M SBL 2 1 37 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 37 0.0000 -0.7167 | + | M SBV 2 37 0.0000 -0.7167 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FF8GS0001 | + | ID FL3FF8GS0001 |
| − | FORMULA C22H20O12 | + | FORMULA C22H20O12 |
| − | EXACTMASS 476.095476104 | + | EXACTMASS 476.095476104 |
| − | AVERAGEMASS 476.387 | + | AVERAGEMASS 476.387 |
| − | SMILES c(c(C(=C4)Oc(c(C(=O)4)2)c(OC)c(OC(O3)C(O)C(C(O)C3C(O)=O)O)cc2O)1)cccc1O | + | SMILES c(c(C(=C4)Oc(c(C(=O)4)2)c(OC)c(OC(O3)C(O)C(C(O)C3C(O)=O)O)cc2O)1)cccc1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
0.0004 -0.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0004 -1.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7015 -1.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4025 -1.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4025 -0.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7015 0.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1036 -1.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8047 -1.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8047 -0.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1036 0.1234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1036 -2.2757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5055 0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2200 -0.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9345 0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9345 0.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2200 1.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5055 0.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8070 0.1848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0469 0.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4058 -0.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4826 -0.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5918 -0.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2391 0.4712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0468 0.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9345 -0.2111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4053 -0.5936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7047 -0.8278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7910 1.3607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7015 -2.2140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7779 0.7185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8037 0.7185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2650 1.6067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7015 0.8401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2971 2.2757 0.0000 C 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
18 1 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
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 18 1 0 0 0 0
17 28 1 0 0 0 0
3 29 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
24 30 1 0 0 0 0
33 34 1 0 0 0 0
6 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 30 31 32
M SBL 1 1 35
M SMT 1 ^ COOH
M SBV 1 35 0.7312 -0.6737
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 37
M SMT 2 OCH3
M SBV 2 37 0.0000 -0.7167
S SKP 5
ID FL3FF8GS0001
FORMULA C22H20O12
EXACTMASS 476.095476104
AVERAGEMASS 476.387
SMILES c(c(C(=C4)Oc(c(C(=O)4)2)c(OC)c(OC(O3)C(O)C(C(O)C3C(O)=O)O)cc2O)1)cccc1O
M END
