Mol:FL3FACCS0054
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 41 45 0 0 0 0 0 0 0 0999 V2000 | + | 41 45 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.6502 0.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6502 0.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9358 1.3570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9358 1.3570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2213 0.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2213 0.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2213 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2213 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9358 -0.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9358 -0.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6502 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6502 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4932 1.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4932 1.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2077 0.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2077 0.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2077 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2077 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4932 -0.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4932 -0.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8534 1.3173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8534 1.3173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4932 -1.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4932 -1.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9358 -0.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9358 -0.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4320 1.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4320 1.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1464 0.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1464 0.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8609 1.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8609 1.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8609 2.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8609 2.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1464 2.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1464 2.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4320 2.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4320 2.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4761 2.5761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4761 2.5761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5151 1.0182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5151 1.0182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8534 0.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8534 0.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4409 -0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4409 -0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6428 0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6428 0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8495 -0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8495 -0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2620 0.5837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2620 0.5837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0601 0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0601 0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2944 -0.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2944 -0.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4526 0.2882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4526 0.2882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5475 0.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5475 0.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6062 -1.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6062 -1.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0188 -2.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0188 -2.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2253 -1.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2253 -1.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4270 -2.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4270 -2.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0143 -1.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0143 -1.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8078 -1.5507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8078 -1.5507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3904 -2.6334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3904 -2.6334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7208 -2.5151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7208 -2.5151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5151 -1.9059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5151 -1.9059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3613 -1.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3613 -1.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0947 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0947 -0.6187 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 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 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 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
| − | 5 13 2 0 0 0 0 | + | 5 13 2 0 0 0 0 |
| − | 1 14 1 0 0 0 0 | + | 1 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 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 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 25 9 1 0 0 0 0 | + | 25 9 1 0 0 0 0 |
| − | 23 28 2 0 0 0 0 | + | 23 28 2 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
| − | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
| − | 34 37 1 0 0 0 0 | + | 34 37 1 0 0 0 0 |
| − | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
| − | 32 39 1 0 0 0 0 | + | 32 39 1 0 0 0 0 |
| − | 31 40 1 0 0 0 0 | + | 31 40 1 0 0 0 0 |
| − | 35 41 1 0 0 0 0 | + | 35 41 1 0 0 0 0 |
| − | 41 24 1 0 0 0 0 | + | 41 24 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACCS0054 | + | ID FL3FACCS0054 |
| − | FORMULA C27H28O14 | + | FORMULA C27H28O14 |
| − | EXACTMASS 576.147905604 | + | EXACTMASS 576.147905604 |
| − | AVERAGEMASS 576.50282 | + | AVERAGEMASS 576.50282 |
| − | SMILES c(c5O)(c(cc(c54)OC(=CC4=O)c(c3)ccc(c3O)O)O)C(C(OC(C(O)2)OC(C)C(C2O)O)1)OC(C)C(O)C1=O | + | SMILES c(c5O)(c(cc(c54)OC(=CC4=O)c(c3)ccc(c3O)O)O)C(C(OC(C(O)2)OC(C)C(C2O)O)1)OC(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/
41 45 0 0 0 0 0 0 0 0999 V2000
1.6502 0.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9358 1.3570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2213 0.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2213 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9358 -0.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6502 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4932 1.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2077 0.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2077 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4932 -0.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8534 1.3173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4932 -1.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9358 -0.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4320 1.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1464 0.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8609 1.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8609 2.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1464 2.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4320 2.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4761 2.5761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5151 1.0182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8534 0.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4409 -0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6428 0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8495 -0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2620 0.5837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0601 0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2944 -0.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4526 0.2882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5475 0.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6062 -1.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0188 -2.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2253 -1.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4270 -2.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0143 -1.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8078 -1.5507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3904 -2.6334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7208 -2.5151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5151 -1.9059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3613 -1.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0947 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 1 0 0 0 0
6 1 2 0 0 0 0
3 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
8 11 1 0 0 0 0
10 12 1 0 0 0 0
5 13 2 0 0 0 0
1 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 1 0 0 0 0
16 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
25 9 1 0 0 0 0
23 28 2 0 0 0 0
22 29 1 0 0 0 0
27 30 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
34 37 1 0 0 0 0
33 38 1 0 0 0 0
32 39 1 0 0 0 0
31 40 1 0 0 0 0
35 41 1 0 0 0 0
41 24 1 0 0 0 0
S SKP 5
ID FL3FACCS0054
FORMULA C27H28O14
EXACTMASS 576.147905604
AVERAGEMASS 576.50282
SMILES c(c5O)(c(cc(c54)OC(=CC4=O)c(c3)ccc(c3O)O)O)C(C(OC(C(O)2)OC(C)C(C2O)O)1)OC(C)C(O)C1=O
M END
