Mol:FL5FCAGS0001
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 |
| − | -2.6655 1.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6655 1.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6656 0.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6656 0.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9644 0.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9644 0.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2633 0.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2633 0.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2632 1.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2632 1.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9643 1.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9643 1.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5622 0.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5622 0.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1389 0.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1389 0.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1390 1.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1390 1.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5621 1.9671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5621 1.9671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5622 -0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5622 -0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8398 1.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8398 1.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5543 1.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5543 1.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2688 1.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2688 1.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2688 2.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2688 2.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5542 3.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5542 3.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8399 2.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8399 2.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9644 -0.3629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9644 -0.3629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9626 0.3021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9626 0.3021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3366 -0.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3366 -0.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3929 -0.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3929 -0.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2470 -0.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2470 -0.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7255 -1.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7255 -1.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6693 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6693 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8151 -0.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8151 -0.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7277 0.2717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7277 0.2717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9799 -1.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9799 -1.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8957 -1.8047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8957 -1.8047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9831 3.2043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9831 3.2043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6520 -2.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6520 -2.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9211 -3.2046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9211 -3.2046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2910 1.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2910 1.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9211 3.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9211 3.0149 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 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 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
| − | 19 8 1 0 0 0 0 | + | 19 8 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 1 32 1 0 0 0 0 | + | 1 32 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 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 34 -0.9265 0.5349 | + | M SBV 1 34 -0.9265 0.5349 |
| − | 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 0.6254 -0.3611 | + | M SBV 2 36 0.6254 -0.3611 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FCAGS0001 | + | ID FL5FCAGS0001 |
| − | FORMULA C22H22O11 | + | FORMULA C22H22O11 |
| − | EXACTMASS 462.116211546 | + | EXACTMASS 462.116211546 |
| − | AVERAGEMASS 462.40348000000006 | + | AVERAGEMASS 462.40348000000006 |
| − | SMILES c(c4)(ccc(c4)C(O2)=C(C(=O)c(c3O)c2cc(c3)OC)OC(O1)C(O)C(C(C(CO)1)O)O)O | + | SMILES c(c4)(ccc(c4)C(O2)=C(C(=O)c(c3O)c2cc(c3)OC)OC(O1)C(O)C(C(C(CO)1)O)O)O |
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
-2.6655 1.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6656 0.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9644 0.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2633 0.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2632 1.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9643 1.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5622 0.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1389 0.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1390 1.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5621 1.9671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5622 -0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8398 1.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5543 1.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2688 1.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2688 2.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5542 3.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8399 2.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9644 -0.3629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9626 0.3021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3366 -0.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3929 -0.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2470 -0.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7255 -1.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6693 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8151 -0.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7277 0.2717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9799 -1.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8957 -1.8047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9831 3.2043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6520 -2.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9211 -3.2046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2910 1.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9211 3.0149 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
3 18 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
23 22 1 1 0 0 0
15 29 1 0 0 0 0
30 31 1 0 0 0 0
23 30 1 0 0 0 0
32 33 1 0 0 0 0
1 32 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 CH2OH
M SBV 1 34 -0.9265 0.5349
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 0.6254 -0.3611
S SKP 5
ID FL5FCAGS0001
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES c(c4)(ccc(c4)C(O2)=C(C(=O)c(c3O)c2cc(c3)OC)OC(O1)C(O)C(C(C(CO)1)O)O)O
M END
