Mol:FL5FACGS0033
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 |
| − | -1.1344 0.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1344 0.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1344 -0.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1344 -0.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4199 -0.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4199 -0.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2946 -0.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2946 -0.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2946 0.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2946 0.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4199 0.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4199 0.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0091 -0.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0091 -0.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7237 -0.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7237 -0.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7237 0.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7237 0.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0091 0.9228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0091 0.9228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0091 -1.3706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0091 -1.3706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6234 1.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6234 1.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3515 0.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3515 0.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0798 1.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0798 1.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0798 1.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0798 1.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3515 2.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3515 2.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6234 1.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6234 1.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4199 -1.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4199 -1.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8591 2.3724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8591 2.3724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4472 -0.8408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4472 -0.8408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9879 1.0029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9879 1.0029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3515 3.1835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3515 3.1835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5928 1.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5928 1.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1160 0.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1160 0.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4295 0.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4295 0.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7671 0.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7671 0.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2484 1.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2484 1.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8490 0.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8490 0.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5914 1.7133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5914 1.7133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8591 0.3975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8591 0.3975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9729 0.2453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9729 0.2453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2425 -2.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2425 -2.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9302 -2.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9302 -2.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7120 -1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7120 -1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9302 -1.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9302 -1.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2425 -0.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2425 -0.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4608 -1.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4608 -1.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3040 -1.3991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3040 -1.3991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4191 -2.8265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4191 -2.8265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7644 -3.1835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7644 -3.1835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3909 -2.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3909 -2.1928 0.0000 C 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 |
| − | 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 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 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 1 0 0 0 | + | 36 37 1 1 0 0 0 |
| − | 37 32 1 1 0 0 0 | + | 37 32 1 1 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 32 39 1 0 0 0 0 | + | 32 39 1 0 0 0 0 |
| − | 33 40 1 0 0 0 0 | + | 33 40 1 0 0 0 0 |
| − | 34 41 1 0 0 0 0 | + | 34 41 1 0 0 0 0 |
| − | 36 20 1 0 0 0 0 | + | 36 20 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGS0033 | + | ID FL5FACGS0033 |
| − | FORMULA C26H28O15 | + | FORMULA C26H28O15 |
| − | EXACTMASS 580.1428202259999 | + | EXACTMASS 580.1428202259999 |
| − | AVERAGEMASS 580.49152 | + | AVERAGEMASS 580.49152 |
| − | SMILES OC(C(O)5)C(OCC5O)Oc(c4)cc(O)c(c42)C(C(=C(c(c3)ccc(O)c3O)O2)OC(C(O)1)OC(C)C(C1O)O)=O | + | SMILES OC(C(O)5)C(OCC5O)Oc(c4)cc(O)c(c42)C(C(=C(c(c3)ccc(O)c3O)O2)OC(C(O)1)OC(C)C(C1O)O)=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/
41 45 0 0 0 0 0 0 0 0999 V2000
-1.1344 0.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1344 -0.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4199 -0.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2946 -0.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2946 0.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4199 0.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0091 -0.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7237 -0.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7237 0.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0091 0.9228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0091 -1.3706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6234 1.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3515 0.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0798 1.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0798 1.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3515 2.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6234 1.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4199 -1.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8591 2.3724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4472 -0.8408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9879 1.0029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3515 3.1835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5928 1.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1160 0.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4295 0.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7671 0.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2484 1.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8490 0.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5914 1.7133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8591 0.3975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9729 0.2453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2425 -2.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9302 -2.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7120 -1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9302 -1.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2425 -0.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4608 -1.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3040 -1.3991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4191 -2.8265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7644 -3.1835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3909 -2.1928 0.0000 C 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
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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
20 8 1 0 0 0 0
4 3 1 0 0 0 0
1 21 1 0 0 0 0
16 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 21 1 0 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 1 0 0 0
37 32 1 1 0 0 0
37 38 1 0 0 0 0
32 39 1 0 0 0 0
33 40 1 0 0 0 0
34 41 1 0 0 0 0
36 20 1 0 0 0 0
S SKP 5
ID FL5FACGS0033
FORMULA C26H28O15
EXACTMASS 580.1428202259999
AVERAGEMASS 580.49152
SMILES OC(C(O)5)C(OCC5O)Oc(c4)cc(O)c(c42)C(C(=C(c(c3)ccc(O)c3O)O2)OC(C(O)1)OC(C)C(C1O)O)=O
M END
