Mol:FL7AECGL0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 43 47 0 0 0 0 0 0 0 0999 V2000 | + | 43 47 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.0785 0.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0785 0.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0785 -0.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0785 -0.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3641 -0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3641 -0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6496 -0.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6496 -0.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6496 0.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6496 0.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3641 0.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3641 0.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9351 -0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9351 -0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2207 -0.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2207 -0.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2207 0.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2207 0.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9351 0.9603 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.9351 0.9603 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4935 0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4935 0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2217 0.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2217 0.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9498 0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9498 0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9498 1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9498 1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2217 2.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2217 2.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4935 1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4935 1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7927 0.9600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7927 0.9600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6777 2.2212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6777 2.2212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3641 -1.5145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3641 -1.5145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5349 -0.6586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5349 -0.6586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2217 3.0619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2217 3.0619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4637 -1.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4637 -1.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1193 -2.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1193 -2.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7817 -2.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7817 -2.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4482 -2.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4482 -2.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7927 -1.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7927 -1.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1302 -2.0731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1302 -2.0731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6501 -1.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6501 -1.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6227 -0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6227 -0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2782 -0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2782 -0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9407 -0.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9407 -0.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6071 -0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6071 -0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9517 -0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9517 -0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2891 -0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2891 -0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8464 -0.2600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8464 -0.2600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6694 0.1813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6694 0.1813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6471 -0.3796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6471 -0.3796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2740 -0.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2740 -0.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6398 -1.1978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6398 -1.1978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4455 -2.3485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4455 -2.3485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4186 -2.9437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4186 -2.9437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4482 -3.0619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4482 -3.0619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7927 -0.6895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7927 -0.6895 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 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 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 29 1 0 0 0 0 | + | 34 29 1 0 0 0 0 |
| − | 29 35 1 0 0 0 0 | + | 29 35 1 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | 33 37 1 0 0 0 0 | + | 33 37 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 26 39 1 0 0 0 0 | + | 26 39 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 23 40 1 0 0 0 0 | + | 23 40 1 0 0 0 0 |
| − | 24 41 1 0 0 0 0 | + | 24 41 1 0 0 0 0 |
| − | 25 42 1 0 0 0 0 | + | 25 42 1 0 0 0 0 |
| − | 30 20 1 0 0 0 0 | + | 30 20 1 0 0 0 0 |
| − | 2 43 1 0 0 0 0 | + | 2 43 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AECGL0002 | + | ID FL7AECGL0002 |
| − | FORMULA C27H31O16 | + | FORMULA C27H31O16 |
| − | EXACTMASS 611.161209944 | + | EXACTMASS 611.161209944 |
| − | AVERAGEMASS 611.52544 | + | AVERAGEMASS 611.52544 |
| − | SMILES Oc(c(O)1)ccc(c(c2OC(O4)C(O)C(O)C(O)C(COC(O5)C(C(O)C(O)C5C)O)4)[o+1]c(c3)c(c(O)c(c3O)O)c2)c1 | + | SMILES Oc(c(O)1)ccc(c(c2OC(O4)C(O)C(O)C(O)C(COC(O5)C(C(O)C(O)C5C)O)4)[o+1]c(c3)c(c(O)c(c3O)O)c2)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-3.0785 0.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0785 -0.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3641 -0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6496 -0.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6496 0.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3641 0.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9351 -0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2207 -0.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2207 0.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9351 0.9603 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.4935 0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2217 0.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9498 0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9498 1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2217 2.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4935 1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7927 0.9600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6777 2.2212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3641 -1.5145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5349 -0.6586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2217 3.0619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4637 -1.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1193 -2.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7817 -2.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4482 -2.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7927 -1.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1302 -2.0731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6501 -1.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6227 -0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2782 -0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9407 -0.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6071 -0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9517 -0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2891 -0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8464 -0.2600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6694 0.1813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6471 -0.3796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2740 -0.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6398 -1.1978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4455 -2.3485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4186 -2.9437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4482 -3.0619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7927 -0.6895 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 1 0 0 0 0
15 21 1 0 0 0 0
22 23 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 22 1 0 0 0 0
22 28 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 29 1 0 0 0 0
29 35 1 0 0 0 0
34 36 1 0 0 0 0
33 37 1 0 0 0 0
32 38 1 0 0 0 0
26 39 1 0 0 0 0
38 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
25 42 1 0 0 0 0
30 20 1 0 0 0 0
2 43 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AECGL0002
FORMULA C27H31O16
EXACTMASS 611.161209944
AVERAGEMASS 611.52544
SMILES Oc(c(O)1)ccc(c(c2OC(O4)C(O)C(O)C(O)C(COC(O5)C(C(O)C(O)C5C)O)4)[o+1]c(c3)c(c(O)c(c3O)O)c2)c1
M END
