Mol:FL5FACGL0013
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 |
| − | -3.1520 0.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1520 0.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1520 0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1520 0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4375 -0.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4375 -0.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7231 0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7231 0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7231 0.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7231 0.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4375 1.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4375 1.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0086 -0.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0086 -0.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2942 0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2942 0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2942 0.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2942 0.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0086 1.2701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0086 1.2701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0086 -1.0232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0086 -1.0232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4200 1.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4200 1.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1482 0.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1482 0.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8763 1.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8763 1.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8763 2.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8763 2.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1482 2.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1482 2.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4200 2.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4200 2.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8662 1.2699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8662 1.2699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5022 -0.3445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5022 -0.3445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4375 -1.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4375 -1.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0753 -1.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0753 -1.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6441 -2.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6441 -2.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4733 -2.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4733 -2.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3074 -2.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3074 -2.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7386 -1.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7386 -1.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9094 -2.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9094 -2.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2745 -2.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2745 -2.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5380 0.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5380 0.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1069 -0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1069 -0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9360 -0.3979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9360 -0.3979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7702 -0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7702 -0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2014 0.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2014 0.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3722 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3722 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8830 0.0197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8830 0.0197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7135 0.4663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7135 0.4663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8662 -0.0663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8662 -0.0663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5002 -0.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5002 -0.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6648 -1.2982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6648 -1.2982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1065 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1065 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0771 -3.0934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0771 -3.0934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3074 -3.3717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3074 -3.3717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6906 2.5808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6906 2.5808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1482 3.3717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1482 3.3717 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 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 1 0 0 0 | + | 29 30 1 1 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 32 31 1 1 0 0 0 | + | 32 31 1 1 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 28 1 0 0 0 0 | + | 33 28 1 0 0 0 0 |
| − | 28 34 1 0 0 0 0 | + | 28 34 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 32 36 1 0 0 0 0 | + | 32 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 25 38 1 0 0 0 0 | + | 25 38 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 22 39 1 0 0 0 0 | + | 22 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 |
| − | 29 19 1 0 0 0 0 | + | 29 19 1 0 0 0 0 |
| − | 42 15 1 0 0 0 0 | + | 42 15 1 0 0 0 0 |
| − | 16 43 1 0 0 0 0 | + | 16 43 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGL0013 | + | ID FL5FACGL0013 |
| − | FORMULA C27H30O16 | + | FORMULA C27H30O16 |
| − | EXACTMASS 610.153384912 | + | EXACTMASS 610.153384912 |
| − | AVERAGEMASS 610.5175 | + | AVERAGEMASS 610.5175 |
| − | SMILES O(C2OC(=C3c(c5)ccc(O)c5O)C(c(c(O)4)c(cc(O)c4)O3)=O)C(C(C(O)C(O)2)O)COC(O1)C(C(O)C(O)C1C)O | + | SMILES O(C2OC(=C3c(c5)ccc(O)c5O)C(c(c(O)4)c(cc(O)c4)O3)=O)C(C(C(O)C(O)2)O)COC(O1)C(C(O)C(O)C1C)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/
43 47 0 0 0 0 0 0 0 0999 V2000
-3.1520 0.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1520 0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4375 -0.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7231 0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7231 0.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4375 1.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0086 -0.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2942 0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2942 0.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0086 1.2701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0086 -1.0232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4200 1.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1482 0.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8763 1.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8763 2.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1482 2.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4200 2.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8662 1.2699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5022 -0.3445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4375 -1.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0753 -1.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6441 -2.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4733 -2.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3074 -2.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7386 -1.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9094 -2.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2745 -2.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5380 0.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1069 -0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9360 -0.3979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7702 -0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2014 0.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3722 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8830 0.0197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7135 0.4663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8662 -0.0663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5002 -0.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6648 -1.2982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1065 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0771 -3.0934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3074 -3.3717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6906 2.5808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1482 3.3717 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
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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 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 21 1 0 0 0 0
21 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
25 38 1 0 0 0 0
37 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
29 19 1 0 0 0 0
42 15 1 0 0 0 0
16 43 1 0 0 0 0
S SKP 5
ID FL5FACGL0013
FORMULA C27H30O16
EXACTMASS 610.153384912
AVERAGEMASS 610.5175
SMILES O(C2OC(=C3c(c5)ccc(O)c5O)C(c(c(O)4)c(cc(O)c4)O3)=O)C(C(C(O)C(O)2)O)COC(O1)C(C(O)C(O)C1C)O
M END
