Mol:FL5FABGS0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.0412 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0412 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0412 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0412 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3400 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3400 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6388 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6388 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6388 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6388 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3400 0.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3400 0.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9376 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9376 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2364 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2364 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2364 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2364 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9376 0.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9376 0.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9376 -1.6551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9376 -1.6551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4646 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4646 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1793 0.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1793 0.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8939 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8939 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8939 1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8939 1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1793 1.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1793 1.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4646 1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4646 1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7422 0.5953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7422 0.5953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3400 -1.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3400 -1.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5805 -1.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5805 -1.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8571 -0.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8571 -0.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3684 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3684 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3081 -1.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3081 -1.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2533 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2533 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7422 -0.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7422 -0.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8025 -0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8025 -0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2101 -0.8164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2101 -0.8164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1845 -0.4686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1845 -0.4686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6312 0.0309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6312 0.0309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6084 1.8331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6084 1.8331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5090 1.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5090 1.3132 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 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 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 15 30 1 0 0 0 0 | + | 15 30 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 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 34 -0.7144 -0.4126 | + | M SBV 1 34 -0.7144 -0.4126 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FABGS0001 | + | ID FL5FABGS0001 |
| − | FORMULA C21H20O10 | + | FORMULA C21H20O10 |
| − | EXACTMASS 432.10564686 | + | EXACTMASS 432.10564686 |
| − | AVERAGEMASS 432.37749999999994 | + | AVERAGEMASS 432.37749999999994 |
| − | SMILES C(C(=O)3)(=C(Oc(c4)c3c(cc(O)4)O)c(c2)ccc(OC)c2)OC(O1)C(O)C(C(O)C1)O | + | SMILES C(C(=O)3)(=C(Oc(c4)c3c(cc(O)4)O)c(c2)ccc(OC)c2)OC(O1)C(O)C(C(O)C1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-3.0412 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0412 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3400 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6388 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6388 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3400 0.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9376 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2364 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2364 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9376 0.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9376 -1.6551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4646 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1793 0.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8939 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8939 1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1793 1.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4646 1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7422 0.5953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3400 -1.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5805 -1.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8571 -0.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3684 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3081 -1.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2533 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7422 -0.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8025 -0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2101 -0.8164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1845 -0.4686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6312 0.0309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6084 1.8331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5090 1.3132 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 20 1 0 0 0 0
20 8 1 0 0 0 0
24 23 1 1 0 0 0
30 31 1 0 0 0 0
15 30 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 OCH3
M SBV 1 34 -0.7144 -0.4126
S SKP 5
ID FL5FABGS0001
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES C(C(=O)3)(=C(Oc(c4)c3c(cc(O)4)O)c(c2)ccc(OC)c2)OC(O1)C(O)C(C(O)C1)O
M END
