Mol:FL3FFCGS0004
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 |
| − | -1.9210 -1.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9210 -1.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9210 -2.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9210 -2.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2199 -2.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2199 -2.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5187 -2.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5187 -2.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5187 -1.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5187 -1.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2199 -0.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2199 -0.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1822 -2.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1822 -2.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8833 -2.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8833 -2.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8833 -1.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8833 -1.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1822 -0.9269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1822 -0.9269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1822 -3.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1822 -3.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5841 -0.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5841 -0.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2986 -1.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2986 -1.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0131 -0.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0131 -0.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0131 -0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0131 -0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2986 0.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2986 0.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5841 -0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5841 -0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2986 1.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2986 1.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2199 -3.3536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2199 -3.3536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6247 -0.8030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6247 -0.8030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6552 0.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6552 0.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2039 -0.1787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2039 -0.1787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8858 2.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8858 2.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2981 1.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2981 1.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5256 0.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5256 0.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0718 0.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0718 0.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8347 1.0721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8347 1.0721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6078 1.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6078 1.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4758 2.9429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4758 2.9429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6552 2.4027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6552 2.4027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5438 -0.0157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5438 -0.0157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3469 2.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3469 2.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1223 2.2736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1223 2.2736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8340 3.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8340 3.3776 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 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 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 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 26 22 1 0 0 0 0 | + | 26 22 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 28 32 1 0 0 0 0 | + | 28 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 3 32 33 34 | + | M SAL 1 3 32 33 34 |
| − | M SBL 1 1 37 | + | M SBL 1 1 37 |
| − | M SMT 1 COOH | + | M SMT 1 COOH |
| − | M SBV 1 37 -0.2609 -0.9311 | + | M SBV 1 37 -0.2609 -0.9311 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FFCGS0004 | + | ID FL3FFCGS0004 |
| − | FORMULA C21H18O13 | + | FORMULA C21H18O13 |
| − | EXACTMASS 478.07474066199995 | + | EXACTMASS 478.07474066199995 |
| − | AVERAGEMASS 478.35982 | + | AVERAGEMASS 478.35982 |
| − | SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c31)c(cc(O)c(C(=O)C=C(O3)c(c2)cc(c(O)c2)O)1)O)O)O | + | SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c31)c(cc(O)c(C(=O)C=C(O3)c(c2)cc(c(O)c2)O)1)O)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
-1.9210 -1.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9210 -2.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2199 -2.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5187 -2.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5187 -1.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2199 -0.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1822 -2.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8833 -2.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8833 -1.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1822 -0.9269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1822 -3.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5841 -0.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2986 -1.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0131 -0.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0131 -0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2986 0.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5841 -0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2986 1.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2199 -3.3536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6247 -0.8030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6552 0.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2039 -0.1787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8858 2.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2981 1.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5256 0.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0718 0.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8347 1.0721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6078 1.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4758 2.9429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6552 2.4027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5438 -0.0157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3469 2.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1223 2.2736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8340 3.3776 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
16 18 1 0 0 0 0
3 19 1 0 0 0 0
1 20 1 0 0 0 0
21 15 1 0 0 0 0
6 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 22 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
28 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 32 33 34
M SBL 1 1 37
M SMT 1 COOH
M SBV 1 37 -0.2609 -0.9311
S SKP 5
ID FL3FFCGS0004
FORMULA C21H18O13
EXACTMASS 478.07474066199995
AVERAGEMASS 478.35982
SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c31)c(cc(O)c(C(=O)C=C(O3)c(c2)cc(c(O)c2)O)1)O)O)O
M END
