Mol:FL7AAIGO0002
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 |
| − | -3.0716 -0.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0716 -0.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0716 -1.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0716 -1.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3571 -1.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3571 -1.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6426 -1.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6426 -1.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6426 -0.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6426 -0.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3571 -0.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3571 -0.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9282 -1.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9282 -1.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2137 -1.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2137 -1.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2137 -0.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2137 -0.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9282 -0.2768 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.9282 -0.2768 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5005 -0.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5005 -0.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2287 -0.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2287 -0.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9569 -0.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9569 -0.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9569 0.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9569 0.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2287 0.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2287 0.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5005 0.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5005 0.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7858 -0.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7858 -0.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6581 0.9776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6581 0.9776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3571 -2.7515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3571 -2.7515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5476 -2.0068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5476 -2.0068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7765 -1.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7765 -1.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4320 -2.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4320 -2.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0945 -2.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0945 -2.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7609 -2.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7609 -2.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1055 -1.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1055 -1.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4429 -1.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4429 -1.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2697 -1.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2697 -1.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7528 -1.5721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7528 -1.5721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0939 -1.1338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0939 -1.1338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5014 -0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5014 -0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7858 -0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7858 -0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2228 1.5991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2228 1.5991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7897 2.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7897 2.7515 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 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 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 13 30 1 0 0 0 0 | + | 13 30 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 15 32 1 0 0 0 0 | + | 15 32 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | 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 -0.5446 0.3328 | + | M SBV 1 34 -0.5446 0.3328 |
| − | 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 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 36 0.0059 -0.6148 | + | M SBV 2 36 0.0059 -0.6148 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAIGS0002 | + | ID FL7AAIGS0002 |
| − | FORMULA C22H23O11 | + | FORMULA C22H23O11 |
| − | EXACTMASS 463.124036578 | + | EXACTMASS 463.124036578 |
| − | AVERAGEMASS 463.41142 | + | AVERAGEMASS 463.41142 |
| − | SMILES c(c([o+1]3)c(cc(c(O)4)c3cc(O)c4)OC(C(O)2)OCC(C(O)2)O)(c1)cc(c(c(OC)1)O)OC | + | SMILES c(c([o+1]3)c(cc(c(O)4)c3cc(O)c4)OC(C(O)2)OCC(C(O)2)O)(c1)cc(c(c(OC)1)O)OC |
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
-3.0716 -0.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0716 -1.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3571 -1.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6426 -1.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6426 -0.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3571 -0.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9282 -1.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2137 -1.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2137 -0.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9282 -0.2768 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.5005 -0.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2287 -0.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9569 -0.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9569 0.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2287 0.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5005 0.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7858 -0.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6581 0.9776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3571 -2.7515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5476 -2.0068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7765 -1.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4320 -2.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0945 -2.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7609 -2.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1055 -1.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4429 -1.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2697 -1.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7528 -1.5721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0939 -1.1338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5014 -0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7858 -0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2228 1.5991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7897 2.7515 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
22 20 1 0 0 0 0
25 29 1 0 0 0 0
30 31 1 0 0 0 0
13 30 1 0 0 0 0
32 33 1 0 0 0 0
15 32 1 0 0 0 0
M CHG 1 10 1
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 -0.5446 0.3328
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 36
M SMT 2 OCH3
M SBV 2 36 0.0059 -0.6148
S SKP 5
ID FL7AAIGS0002
FORMULA C22H23O11
EXACTMASS 463.124036578
AVERAGEMASS 463.41142
SMILES c(c([o+1]3)c(cc(c(O)4)c3cc(O)c4)OC(C(O)2)OCC(C(O)2)O)(c1)cc(c(c(OC)1)O)OC
M END
