Mol:FL7ABIGO0001
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 |
| − | -3.1703 0.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1703 0.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1703 -0.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1703 -0.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4559 -1.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4559 -1.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7414 -0.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7414 -0.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7414 0.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7414 0.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4559 0.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4559 0.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0269 -1.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0269 -1.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3125 -0.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3125 -0.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3125 0.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3125 0.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0269 0.4900 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -1.0269 0.4900 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4017 0.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4017 0.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1299 0.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1299 0.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8581 0.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8581 0.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8581 1.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8581 1.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1299 1.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1299 1.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4017 1.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4017 1.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8845 0.4899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8845 0.4899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5974 1.7574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5974 1.7574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4967 -1.2387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4967 -1.2387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3862 -2.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3862 -2.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0738 -2.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0738 -2.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8556 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8556 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0738 -1.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0738 -1.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3862 -0.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3862 -0.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6044 -1.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6044 -1.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5602 -1.7416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5602 -1.7416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4682 -3.1467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4682 -3.1467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9392 -3.5907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9392 -3.5907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3503 -2.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3503 -2.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6002 0.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6002 0.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8845 0.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8845 0.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4581 -1.8420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4581 -1.8420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5406 -2.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5406 -2.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1299 2.4383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1299 2.4383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6968 3.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6968 3.5907 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 |
| − | 19 8 1 0 0 0 0 | + | 19 8 1 0 0 0 0 |
| − | 21 20 1 1 0 0 0 | + | 21 20 1 1 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 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 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 20 1 1 0 0 0 | + | 25 20 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 20 27 1 0 0 0 0 | + | 20 27 1 0 0 0 0 |
| − | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 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 |
| − | 3 32 1 0 0 0 0 | + | 3 32 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 15 34 1 0 0 0 0 | + | 15 34 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 -0.7421 0.4285 | + | M SBV 1 34 -0.7421 0.4285 |
| − | 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 0.0022 0.6820 | + | M SBV 2 36 0.0022 0.6820 |
| − | 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 0.0000 -0.6872 | + | M SBV 3 38 0.0000 -0.6872 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7ABIGS0001 | + | ID FL7ABIGS0001 |
| − | FORMULA C24H27O11 | + | FORMULA C24H27O11 |
| − | EXACTMASS 491.155336706 | + | EXACTMASS 491.155336706 |
| − | AVERAGEMASS 491.46458 | + | AVERAGEMASS 491.46458 |
| − | SMILES c(c1)(c(c(cc1c(c(OC(O4)C(O)C(C(O)C(C)4)O)3)[o+1]c(c2c3)cc(cc2OC)O)OC)O)OC | + | SMILES c(c1)(c(c(cc1c(c(OC(O4)C(O)C(C(O)C(C)4)O)3)[o+1]c(c2c3)cc(cc2OC)O)OC)O)OC |
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
-3.1703 0.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1703 -0.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4559 -1.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7414 -0.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7414 0.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4559 0.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0269 -1.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3125 -0.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3125 0.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0269 0.4900 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.4017 0.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1299 0.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8581 0.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8581 1.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1299 1.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4017 1.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8845 0.4899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5974 1.7574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4967 -1.2387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3862 -2.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0738 -2.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8556 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0738 -1.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3862 -0.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6044 -1.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5602 -1.7416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4682 -3.1467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9392 -3.5907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3503 -2.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6002 0.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8845 0.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4581 -1.8420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5406 -2.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1299 2.4383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6968 3.5907 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
19 8 1 0 0 0 0
21 20 1 1 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 20 1 1 0 0 0
25 26 1 0 0 0 0
20 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
24 19 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
3 32 1 0 0 0 0
34 35 1 0 0 0 0
15 34 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 -0.7421 0.4285
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 0.0022 0.6820
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 0.0000 -0.6872
S SKP 5
ID FL7ABIGS0001
FORMULA C24H27O11
EXACTMASS 491.155336706
AVERAGEMASS 491.46458
SMILES c(c1)(c(c(cc1c(c(OC(O4)C(O)C(C(O)C(C)4)O)3)[o+1]c(c2c3)cc(cc2OC)O)OC)O)OC
M END
