Mol:FL3FBBGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.6745 1.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6745 1.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6745 0.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6745 0.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3889 0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3889 0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1034 0.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1034 0.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1034 1.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1034 1.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3889 1.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3889 1.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9600 0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9600 0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2455 0.7406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2455 0.7406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5311 0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5311 0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5311 -0.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5311 -0.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2455 -0.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2455 -0.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9600 -0.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9600 -0.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8166 0.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8166 0.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1021 0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1021 0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1021 -0.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1021 -0.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8166 -0.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8166 -0.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2455 -1.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2455 -1.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4666 0.6155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4666 0.6155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8166 -1.5953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8166 -1.5953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8090 1.9672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8090 1.9672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0982 0.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0982 0.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6857 0.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6857 0.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8876 0.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8876 0.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0944 0.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0944 0.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5069 0.9619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5069 0.9619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3050 0.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3050 0.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7273 1.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7273 1.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4132 1.3652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4132 1.3652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5992 0.7825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5992 0.7825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1728 0.3562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1728 0.3562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3977 -0.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3977 -0.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1534 -1.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1534 -1.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4518 1.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4518 1.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.9531 1.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.9531 1.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5405 1.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5405 1.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7422 1.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7422 1.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9487 1.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9487 1.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3612 1.7203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3612 1.7203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1596 1.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1596 1.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3315 0.6816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3315 0.6816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.0244 1.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.0244 1.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.4518 1.5469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.4518 1.5469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 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 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 |
| − | 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 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 19 32 1 0 0 0 0 | + | 19 32 1 0 0 0 0 |
| − | 20 33 1 0 0 0 0 | + | 20 33 1 0 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 37 36 1 1 0 0 0 | + | 37 36 1 1 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
| − | 36 40 1 0 0 0 0 | + | 36 40 1 0 0 0 0 |
| − | 35 41 1 0 0 0 0 | + | 35 41 1 0 0 0 0 |
| − | 34 42 1 0 0 0 0 | + | 34 42 1 0 0 0 0 |
| − | 37 28 1 0 0 0 0 | + | 37 28 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FBBGS0001 | + | ID FL3FBBGS0001 |
| − | FORMULA C28H32O14 | + | FORMULA C28H32O14 |
| − | EXACTMASS 592.179205732 | + | EXACTMASS 592.179205732 |
| − | AVERAGEMASS 592.54528 | + | AVERAGEMASS 592.54528 |
| − | SMILES O(C(O4)C(C(C(C4COC(O5)C(O)C(O)C(C5)O)O)O)O)c(c1)cc(OC)c(C2=O)c1OC(c(c3)ccc(OC)c3)=C2 | + | SMILES O(C(O4)C(C(C(C4COC(O5)C(O)C(O)C(C5)O)O)O)O)c(c1)cc(OC)c(C2=O)c1OC(c(c3)ccc(OC)c3)=C2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
3.6745 1.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6745 0.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3889 0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1034 0.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1034 1.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3889 1.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9600 0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2455 0.7406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5311 0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5311 -0.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2455 -0.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9600 -0.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8166 0.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1021 0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1021 -0.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8166 -0.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2455 -1.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4666 0.6155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8166 -1.5953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8090 1.9672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0982 0.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6857 0.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8876 0.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0944 0.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5069 0.9619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3050 0.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7273 1.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4132 1.3652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5992 0.7825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1728 0.3562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3977 -0.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1534 -1.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4518 1.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9531 1.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5405 1.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7422 1.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9487 1.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3612 1.7203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1596 1.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3315 0.6816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0244 1.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4518 1.5469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
16 19 1 0 0 0 0
5 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 18 1 0 0 0 0
19 32 1 0 0 0 0
20 33 1 0 0 0 0
34 35 1 1 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
36 40 1 0 0 0 0
35 41 1 0 0 0 0
34 42 1 0 0 0 0
37 28 1 0 0 0 0
S SKP 5
ID FL3FBBGS0001
FORMULA C28H32O14
EXACTMASS 592.179205732
AVERAGEMASS 592.54528
SMILES O(C(O4)C(C(C(C4COC(O5)C(O)C(O)C(C5)O)O)O)O)c(c1)cc(OC)c(C2=O)c1OC(c(c3)ccc(OC)c3)=C2
M END
