Mol:FL3FAAGS0044
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 40 0 0 0 0 0 0 0 0999 V2000 | + | 37 40 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.6483 0.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6483 0.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6483 -0.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6483 -0.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3496 -1.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3496 -1.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0508 -0.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0508 -0.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0508 0.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0508 0.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3496 0.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3496 0.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7521 -1.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7521 -1.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4533 -0.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4533 -0.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4533 0.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4533 0.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7521 0.5068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7521 0.5068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7521 -1.7441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7521 -1.7441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1543 0.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1543 0.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8690 0.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8690 0.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5837 0.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5837 0.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5837 1.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5837 1.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8690 1.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8690 1.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1543 1.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1543 1.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0527 0.5066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0527 0.5066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2982 1.7444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2982 1.7444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3496 -1.7445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3496 -1.7445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7767 0.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7767 0.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2055 0.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2055 0.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6577 -0.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6577 -0.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8686 -0.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8686 -0.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0033 -0.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0033 -0.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6606 0.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6606 0.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4665 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4665 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.8338 0.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.8338 0.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2543 -0.4181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2543 -0.4181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2838 -0.6960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2838 -0.6960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7767 -0.6612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7767 -0.6612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5605 0.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5605 0.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5605 1.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5605 1.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2617 0.1663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2617 0.1663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1414 0.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1414 0.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.2982 1.3360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.2982 1.3360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1296 1.5877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1296 1.5877 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 20 3 1 0 0 0 0 | + | 20 3 1 0 0 0 0 |
| − | 21 18 1 0 0 0 0 | + | 21 18 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 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 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 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 21 31 2 0 0 0 0 | + | 21 31 2 0 0 0 0 |
| − | 21 32 1 0 0 0 0 | + | 21 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 34 25 1 0 0 0 0 | + | 34 25 1 0 0 0 0 |
| − | 35 36 2 0 0 0 0 | + | 35 36 2 0 0 0 0 |
| − | 35 37 1 0 0 0 0 | + | 35 37 1 0 0 0 0 |
| − | 27 35 1 0 0 0 0 | + | 27 35 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 35 36 37 | + | M SAL 1 3 35 36 37 |
| − | M SBL 1 1 40 | + | M SBL 1 1 40 |
| − | M SMT 1 ^ COOH | + | M SMT 1 ^ COOH |
| − | M SBV 1 40 0.6749 -0.6749 | + | M SBV 1 40 0.6749 -0.6749 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAAGS0044 | + | ID FL3FAAGS0044 |
| − | FORMULA C24H22O13 | + | FORMULA C24H22O13 |
| − | EXACTMASS 518.10604079 | + | EXACTMASS 518.10604079 |
| − | AVERAGEMASS 518.42368 | + | AVERAGEMASS 518.42368 |
| − | SMILES C(=O)(C=1)c(c3O)c(cc(OC(C(OC(C4O)OC(C(O)=O)C(C(O)4)O)C)=O)c3)OC1c(c2)ccc(c2)O | + | SMILES C(=O)(C=1)c(c3O)c(cc(OC(C(OC(C4O)OC(C(O)=O)C(C(O)4)O)C)=O)c3)OC1c(c2)ccc(c2)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
37 40 0 0 0 0 0 0 0 0999 V2000
0.6483 0.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6483 -0.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3496 -1.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0508 -0.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0508 0.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3496 0.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7521 -1.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4533 -0.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4533 0.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7521 0.5068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7521 -1.7441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1543 0.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8690 0.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5837 0.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5837 1.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8690 1.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1543 1.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0527 0.5066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2982 1.7444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3496 -1.7445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7767 0.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2055 0.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6577 -0.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8686 -0.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0033 -0.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6606 0.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4665 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8338 0.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2543 -0.4181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2838 -0.6960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7767 -0.6612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5605 0.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5605 1.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2617 0.1663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1414 0.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2982 1.3360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1296 1.5877 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
1 18 1 0 0 0 0
15 19 1 0 0 0 0
20 3 1 0 0 0 0
21 18 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 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
21 31 2 0 0 0 0
21 32 1 0 0 0 0
32 33 1 0 0 0 0
32 34 1 0 0 0 0
34 25 1 0 0 0 0
35 36 2 0 0 0 0
35 37 1 0 0 0 0
27 35 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 35 36 37
M SBL 1 1 40
M SMT 1 ^ COOH
M SBV 1 40 0.6749 -0.6749
S SKP 5
ID FL3FAAGS0044
FORMULA C24H22O13
EXACTMASS 518.10604079
AVERAGEMASS 518.42368
SMILES C(=O)(C=1)c(c3O)c(cc(OC(C(OC(C4O)OC(C(O)=O)C(C(O)4)O)C)=O)c3)OC1c(c2)ccc(c2)O
M END
