Mol:FL5FACGS0046
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -2.5899 1.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5899 1.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5899 0.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5899 0.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8754 0.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8754 0.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1610 0.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1610 0.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1610 1.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1610 1.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8754 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8754 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4465 0.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4465 0.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2679 0.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2679 0.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2679 1.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2679 1.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4465 1.6852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4465 1.6852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4465 -0.7038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4465 -0.7038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9821 1.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9821 1.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7103 1.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7103 1.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4385 1.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4385 1.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4385 2.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4385 2.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7103 2.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7103 2.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9821 2.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9821 2.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8754 -0.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8754 -0.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2255 2.9803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2255 2.9803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2255 1.6852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2255 1.6852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0562 -0.0074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0562 -0.0074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0183 -1.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0183 -1.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6524 -1.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6524 -1.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4361 -1.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4361 -1.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6570 -0.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6570 -0.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5325 -1.0743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5325 -1.0743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0336 -1.2360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0336 -1.2360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8698 -1.8965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8698 -1.8965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4614 -1.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4614 -1.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9378 -1.2546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9378 -1.2546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4614 -2.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4614 -2.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7103 3.7869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7103 3.7869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5627 -2.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5627 -2.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2428 -3.7869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2428 -3.7869 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 21 8 1 0 0 0 0 | + | 21 8 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 22 1 0 0 0 0 | + | 26 22 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 25 21 1 0 0 0 0 | + | 25 21 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 16 32 1 0 0 0 0 | + | 16 32 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 22 33 1 0 0 0 0 | + | 22 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 2 33 34 | + | M SAL 1 2 33 34 |
| − | M SBL 1 1 37 | + | M SBL 1 1 37 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 37 -0.5810 0.5810 | + | M SBV 1 37 -0.5810 0.5810 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGS0046 | + | ID FL5FACGS0046 |
| − | FORMULA C22H20O12 | + | FORMULA C22H20O12 |
| − | EXACTMASS 476.095476104 | + | EXACTMASS 476.095476104 |
| − | AVERAGEMASS 476.387 | + | AVERAGEMASS 476.387 |
| − | SMILES c(c(C(O3)=C(C(c(c4O)c3cc(c4)O)=O)OC(C2O)OC(CO)C2OC(C)=O)1)cc(c(c1)O)O | + | SMILES c(c(C(O3)=C(C(c(c4O)c3cc(c4)O)=O)OC(C2O)OC(CO)C2OC(C)=O)1)cc(c(c1)O)O |
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
-2.5899 1.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5899 0.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8754 0.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1610 0.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1610 1.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8754 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4465 0.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2679 0.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2679 1.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4465 1.6852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4465 -0.7038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9821 1.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7103 1.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4385 1.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4385 2.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7103 2.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9821 2.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8754 -0.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2255 2.9803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2255 1.6852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0562 -0.0074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0183 -1.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6524 -1.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4361 -1.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6570 -0.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5325 -1.0743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0336 -1.2360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8698 -1.8965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4614 -1.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9378 -1.2546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4614 -2.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7103 3.7869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5627 -2.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2428 -3.7869 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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
20 1 1 0 0 0 0
21 8 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 22 1 0 0 0 0
23 27 1 0 0 0 0
24 28 1 0 0 0 0
25 21 1 0 0 0 0
27 29 1 0 0 0 0
29 30 2 0 0 0 0
29 31 1 0 0 0 0
16 32 1 0 0 0 0
33 34 1 0 0 0 0
22 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 37
M SMT 1 CH2OH
M SBV 1 37 -0.5810 0.5810
S SKP 5
ID FL5FACGS0046
FORMULA C22H20O12
EXACTMASS 476.095476104
AVERAGEMASS 476.387
SMILES c(c(C(O3)=C(C(c(c4O)c3cc(c4)O)=O)OC(C2O)OC(CO)C2OC(C)=O)1)cc(c(c1)O)O
M END
