Mol:FL5FECGS0020
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -2.2155 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2155 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2155 -0.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2155 -0.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5010 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5010 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7865 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7865 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7866 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7866 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5010 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5010 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0723 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0723 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6422 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6422 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6422 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6422 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0723 0.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0723 0.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0723 -1.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0723 -1.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3563 0.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3563 0.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0846 0.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0846 0.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8127 0.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8127 0.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8127 1.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8127 1.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0846 2.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0846 2.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3563 1.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3563 1.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3448 -0.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3448 -0.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5010 -1.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5010 -1.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6268 2.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6268 2.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0846 3.0972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0846 3.0972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8905 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8905 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3327 -3.0972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3327 -3.0972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1495 -2.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1495 -2.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7114 -1.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7114 -1.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3778 -2.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3778 -2.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7141 -1.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7141 -1.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8592 -1.7979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8592 -1.7979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8907 -0.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8907 -0.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0791 -1.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0791 -1.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2388 -2.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2388 -2.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3101 -2.1597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3101 -2.1597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9846 1.0274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9846 1.0274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6268 2.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6268 2.1396 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 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 27 22 1 1 0 0 0 | + | 27 22 1 1 0 0 0 |
| − | 26 22 1 1 0 0 0 | + | 26 22 1 1 0 0 0 |
| − | 25 27 1 1 0 0 0 | + | 25 27 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 27 24 1 0 0 0 0 | + | 27 24 1 0 0 0 0 |
| − | 28 25 1 0 0 0 0 | + | 28 25 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 2 29 1 0 0 0 0 | + | 2 29 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 1 33 1 0 0 0 0 | + | 1 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 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 33 0.6752 0.3898 | + | M SBV 1 33 0.6752 0.3898 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 31 32 | + | M SAL 2 2 31 32 |
| − | M SBL 2 1 35 | + | M SBL 2 1 35 |
| − | M SMT 2 ^ CH2OH | + | M SMT 2 ^ CH2OH |
| − | M SBV 2 35 0.6518 -0.6518 | + | M SBV 2 35 0.6518 -0.6518 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 33 34 | + | M SAL 3 2 33 34 |
| − | M SBL 3 1 37 | + | M SBL 3 1 37 |
| − | M SMT 3 ^ OCH3 | + | M SMT 3 ^ OCH3 |
| − | M SBV 3 37 0.7692 -0.4441 | + | M SBV 3 37 0.7692 -0.4441 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FECGS0020 | + | ID FL5FECGS0020 |
| − | FORMULA C22H22O12 | + | FORMULA C22H22O12 |
| − | EXACTMASS 478.111126168 | + | EXACTMASS 478.111126168 |
| − | AVERAGEMASS 478.40288000000004 | + | AVERAGEMASS 478.40288000000004 |
| − | SMILES c(c(C(=C(OC(O4)C(C(O)(CO)C4)O)3)Oc(c2C3=O)cc(c(c2O)OC)OC)1)cc(c(c1)O)O | + | SMILES c(c(C(=C(OC(O4)C(C(O)(CO)C4)O)3)Oc(c2C3=O)cc(c(c2O)OC)OC)1)cc(c(c1)O)O |
M END | M END | ||
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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
-2.2155 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2155 -0.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5010 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7865 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7866 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5010 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0723 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6422 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6422 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0723 0.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0723 -1.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3563 0.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0846 0.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8127 0.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8127 1.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0846 2.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3563 1.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3448 -0.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5010 -1.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6268 2.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0846 3.0972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8905 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3327 -3.0972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1495 -2.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7114 -1.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3778 -2.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7141 -1.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8592 -1.7979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8907 -0.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0791 -1.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2388 -2.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3101 -2.1597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9846 1.0274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6268 2.1396 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
8 18 1 0 0 0 0
3 19 1 0 0 0 0
20 15 1 0 0 0 0
16 21 1 0 0 0 0
27 22 1 1 0 0 0
26 22 1 1 0 0 0
25 27 1 1 0 0 0
22 23 1 0 0 0 0
27 24 1 0 0 0 0
28 25 1 0 0 0 0
26 28 1 0 0 0 0
25 18 1 0 0 0 0
29 30 1 0 0 0 0
2 29 1 0 0 0 0
31 32 1 0 0 0 0
22 31 1 0 0 0 0
33 34 1 0 0 0 0
1 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 33
M SMT 1 ^ OCH3
M SBV 1 33 0.6752 0.3898
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 35
M SMT 2 ^ CH2OH
M SBV 2 35 0.6518 -0.6518
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 33 34
M SBL 3 1 37
M SMT 3 ^ OCH3
M SBV 3 37 0.7692 -0.4441
S SKP 5
ID FL5FECGS0020
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES c(c(C(=C(OC(O4)C(C(O)(CO)C4)O)3)Oc(c2C3=O)cc(c(c2O)OC)OC)1)cc(c(c1)O)O
M END
