Mol:FL3FAACS0012
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 40 44 0 0 0 0 0 0 0 0999 V2000 | + | 40 44 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0195 -0.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0195 -0.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0195 -1.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0195 -1.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3050 -2.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3050 -2.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4094 -1.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4094 -1.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4094 -0.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4094 -0.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.8384 -0.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8384 -0.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1239 -0.4631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1239 -0.4631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1239 -2.7564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1239 -2.7564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7337 -0.4632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7337 -0.4632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5967 -0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5967 -0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3991 -0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3991 -0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2015 -0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2015 -0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2015 0.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2015 0.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3991 0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3991 0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5967 0.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5967 0.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0028 0.9013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0028 0.9013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3050 -2.9378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3050 -2.9378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9590 0.7431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9590 0.7431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2296 0.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2296 0.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4611 1.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4611 1.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2296 1.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2296 1.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9590 2.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9590 2.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7276 1.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7276 1.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6298 2.9378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6298 2.9378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2296 2.4720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2296 2.4720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3548 2.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3548 2.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0462 0.8924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0462 0.8924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9319 1.7969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9319 1.7969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.8745 1.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8745 1.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1880 1.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1880 1.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.6075 1.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6075 1.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0028 1.2873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0028 1.2873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5329 1.0343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5329 1.0343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 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 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 21 1 1 0 0 0 | + | 26 21 1 1 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 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 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
| − | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
| − | 35 31 1 0 0 0 0 | + | 35 31 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAACS0012 | + | ID FL3FAACS0012 |
| − | FORMULA C26H28O14 | + | FORMULA C26H28O14 |
| − | EXACTMASS 564.147905604 | + | EXACTMASS 564.147905604 |
| − | AVERAGEMASS 564.49212 | + | AVERAGEMASS 564.49212 |
| − | SMILES C(OCC(O2)C(C(O)C(C2c(c35)c(cc(c3C(=O)C=C(O5)c(c4)ccc(O)c4)O)O)O)O)(O1)C(O)C(C(O)C1)O | + | SMILES C(OCC(O2)C(C(O)C(C2c(c35)c(cc(c3C(=O)C=C(O5)c(c4)ccc(O)c4)O)O)O)O)(O1)C(O)C(C(O)C1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
-1.0195 -0.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0195 -1.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3050 -2.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4094 -1.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4094 -0.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3050 -0.4631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1239 -2.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8384 -1.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8384 -0.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1239 -0.4631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1239 -2.7564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7337 -0.4632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5967 -0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3991 -0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2015 -0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2015 0.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3991 0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5967 0.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0028 0.9013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3050 -2.9378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9590 0.7431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2296 0.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4611 1.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2296 1.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9590 2.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7276 1.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6298 2.9378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2296 2.4720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3548 2.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0462 0.8924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9319 1.7969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3512 1.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8745 1.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1880 1.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5257 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0069 1.7897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6075 1.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0028 1.2873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5329 1.0343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6241 0.9755 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
1 12 1 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
16 19 1 0 0 0 0
3 20 1 0 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 21 1 1 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
26 29 1 0 0 0 0
23 30 1 0 0 0 0
6 22 1 0 0 0 0
29 31 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 40 1 0 0 0 0
35 31 1 0 0 0 0
S SKP 5
ID FL3FAACS0012
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES C(OCC(O2)C(C(O)C(C2c(c35)c(cc(c3C(=O)C=C(O5)c(c4)ccc(O)c4)O)O)O)O)(O1)C(O)C(C(O)C1)O
M END
