Mol:FL5FEAGS0012
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8726 0.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8726 0.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8726 -0.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8726 -0.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1580 -0.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1580 -0.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5564 -0.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5564 -0.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5564 0.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5564 0.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1580 0.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1580 0.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2710 -0.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2710 -0.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9855 -0.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9855 -0.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9855 0.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9855 0.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2710 0.7383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2710 0.7383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2957 -1.7259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2957 -1.7259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6998 0.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6998 0.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4279 0.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4279 0.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1561 0.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1561 0.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1561 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1561 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4279 1.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4279 1.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6998 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6998 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5868 0.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5868 0.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8842 2.0881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8842 2.0881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1580 -1.7366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1580 -1.7366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3447 0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3447 0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8240 0.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8240 0.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0740 0.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0740 0.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2925 0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2925 0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8763 0.9223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8763 0.9223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6423 0.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6423 0.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8842 0.5828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8842 0.5828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5616 0.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5616 0.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4574 -0.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4574 -0.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5620 -0.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5620 -0.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0099 -1.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0099 -1.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1306 1.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1306 1.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2605 2.0644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2605 2.0644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7461 -0.9297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7461 -0.9297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3008 -2.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3008 -2.0881 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 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 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 2 30 1 0 0 0 0 | + | 2 30 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 32 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 8 34 1 0 0 0 0 | + | 8 34 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 34 0.6895 0.3996 | + | M SBV 1 34 0.6895 0.3996 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 36 | + | M SBL 2 1 36 |
| − | M SMT 2 ^ CH2OH | + | M SMT 2 ^ CH2OH |
| − | M SBV 2 36 0.4883 -0.4723 | + | M SBV 2 36 0.4883 -0.4723 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 34 35 | + | M SAL 3 2 34 35 |
| − | M SBL 3 1 38 | + | M SBL 3 1 38 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SBV 3 38 -0.7605 0.4305 | + | M SBV 3 38 -0.7605 0.4305 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FEAGS0012 | + | ID FL5FEAGS0012 |
| − | FORMULA C23H24O12 | + | FORMULA C23H24O12 |
| − | EXACTMASS 492.126776232 | + | EXACTMASS 492.126776232 |
| − | AVERAGEMASS 492.42946 | + | AVERAGEMASS 492.42946 |
| − | SMILES O=C(C=3OC)c(c(OC3c(c4)ccc(c4)O)2)c(c(c(c2)OC(C(O)1)OC(CO)C(C1O)O)OC)O | + | SMILES O=C(C=3OC)c(c(OC3c(c4)ccc(c4)O)2)c(c(c(c2)OC(C(O)1)OC(CO)C(C1O)O)OC)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-0.8726 0.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8726 -0.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1580 -0.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5564 -0.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5564 0.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1580 0.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2710 -0.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9855 -0.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9855 0.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2710 0.7383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2957 -1.7259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6998 0.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4279 0.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1561 0.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1561 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4279 1.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6998 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5868 0.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8842 2.0881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1580 -1.7366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3447 0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8240 0.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0740 0.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2925 0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8763 0.9223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6423 0.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8842 0.5828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5616 0.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4574 -0.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5620 -0.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0099 -1.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1306 1.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2605 2.0644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7461 -0.9297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3008 -2.0881 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
1 18 1 0 0 0 0
19 15 1 0 0 0 0
3 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 18 1 0 0 0 0
30 31 1 0 0 0 0
2 30 1 0 0 0 0
32 33 1 0 0 0 0
26 32 1 0 0 0 0
34 35 1 0 0 0 0
8 34 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 34
M SMT 1 ^ OCH3
M SBV 1 34 0.6895 0.3996
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 36
M SMT 2 ^ CH2OH
M SBV 2 36 0.4883 -0.4723
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 34 35
M SBL 3 1 38
M SMT 3 OCH3
M SBV 3 38 -0.7605 0.4305
S SKP 5
ID FL5FEAGS0012
FORMULA C23H24O12
EXACTMASS 492.126776232
AVERAGEMASS 492.42946
SMILES O=C(C=3OC)c(c(OC3c(c4)ccc(c4)O)2)c(c(c(c2)OC(C(O)1)OC(CO)C(C1O)O)OC)O
M END
