Mol:FL4D1CGS0002
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -1.5003 -1.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5003 -1.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7918 -1.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7918 -1.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0832 -1.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0832 -1.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0832 -0.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0832 -0.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7918 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7918 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5003 -0.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5003 -0.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6253 -1.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6253 -1.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3338 -1.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3338 -1.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3338 -0.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3338 -0.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6253 -0.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6253 -0.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6253 -2.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6253 -2.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1224 -0.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1224 -0.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8416 -0.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8416 -0.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5609 -0.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5609 -0.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5609 0.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5609 0.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8416 1.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8416 1.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1224 0.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1224 0.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1134 -0.0465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1134 -0.0465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9709 -2.0398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9709 -2.0398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8416 2.0464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8416 2.0464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2801 1.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2801 1.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6160 0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6160 0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9016 -0.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9016 -0.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1282 0.6296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1282 0.6296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9016 1.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9016 1.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6160 1.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6160 1.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3894 1.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3894 1.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3238 2.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3238 2.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9002 2.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9002 2.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0513 1.5889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0513 1.5889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2801 0.1888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2801 0.1888 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 6 0 0 0 | + | 9 12 1 6 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 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 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 22 1 1 0 0 0 | + | 27 22 1 1 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 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
| − | 23 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL4D1CGS0002 | + | ID FL4D1CGS0002 |
| − | FORMULA C21H22O10 | + | FORMULA C21H22O10 |
| − | EXACTMASS 434.121296924 | + | EXACTMASS 434.121296924 |
| − | AVERAGEMASS 434.39338 | + | AVERAGEMASS 434.39338 |
| − | SMILES C(O1)(Oc(c4)cc(c2c4)OC(c(c3)cc(c(O)c3)O)C(C2=O)O)C(O)C(O)C(O)C(C)1 | + | SMILES C(O1)(Oc(c4)cc(c2c4)OC(c(c3)cc(c(O)c3)O)C(C2=O)O)C(O)C(O)C(O)C(C)1 |
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
-1.5003 -1.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7918 -1.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0832 -1.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0832 -0.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7918 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5003 -0.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6253 -1.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3338 -1.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3338 -0.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6253 -0.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6253 -2.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1224 -0.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8416 -0.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5609 -0.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5609 0.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8416 1.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1224 0.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1134 -0.0465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9709 -2.0398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8416 2.0464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2801 1.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6160 0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9016 -0.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1282 0.6296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9016 1.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6160 1.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3894 1.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3238 2.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9002 2.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0513 1.5889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2801 0.1888 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
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 6 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
6 18 1 0 0 0 0
8 19 1 1 0 0 0
16 20 1 0 0 0 0
15 21 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
27 30 1 0 0 0 0
22 31 1 0 0 0 0
23 18 1 0 0 0 0
S SKP 5
ID FL4D1CGS0002
FORMULA C21H22O10
EXACTMASS 434.121296924
AVERAGEMASS 434.39338
SMILES C(O1)(Oc(c4)cc(c2c4)OC(c(c3)cc(c(O)c3)O)C(C2=O)O)C(O)C(O)C(O)C(C)1
M END
