Mol:FL7AAGGL0006
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 |
| − | -3.0178 1.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0178 1.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0178 0.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0178 0.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3030 -0.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3030 -0.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5883 0.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5883 0.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5883 1.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5883 1.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3030 1.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3030 1.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8735 -0.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8735 -0.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1587 0.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1587 0.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1587 1.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1587 1.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8735 1.4146 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.8735 1.4146 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5558 1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5558 1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2843 0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2843 0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0128 1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0128 1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0128 2.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0128 2.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2843 2.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2843 2.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5558 2.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5558 2.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7323 1.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7323 1.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7411 2.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7411 2.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3030 -1.0612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3030 -1.0612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7606 -0.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7606 -0.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2843 3.5171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2843 3.5171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4027 -2.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4027 -2.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0581 -2.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0581 -2.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7209 -2.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7209 -2.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3876 -2.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3876 -2.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7323 -2.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7323 -2.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0696 -2.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0696 -2.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7627 -2.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7627 -2.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6655 -0.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6655 -0.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1781 -0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1781 -0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8673 -0.5969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8673 -0.5969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4622 -0.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4622 -0.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9497 -0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9497 -0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2606 -0.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2606 -0.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9883 0.0394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9883 0.0394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9366 -0.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9366 -0.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5996 -0.7186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5996 -0.7186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1881 -0.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1881 -0.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5191 -1.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5191 -1.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4964 -2.8544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4964 -2.8544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3230 -3.3372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3230 -3.3372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3876 -3.5171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3876 -3.5171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7411 0.9939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7411 0.9939 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 |
| − | 13 43 1 0 0 0 0 | + | 13 43 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAGGL0006 | + | ID FL7AAGGL0006 |
| − | FORMULA C27H31O16 | + | FORMULA C27H31O16 |
| − | EXACTMASS 611.161209944 | + | EXACTMASS 611.161209944 |
| − | AVERAGEMASS 611.52544 | + | AVERAGEMASS 611.52544 |
| − | SMILES C(Oc(c4)c([o+1]c(c5)c(c(cc5O)O)4)c(c3)cc(O)c(c(O)3)O)(O1)C(O)C(O)C(O)C(COC(O2)C(C(O)C(O)C2C)O)1 | + | SMILES C(Oc(c4)c([o+1]c(c5)c(c(cc5O)O)4)c(c3)cc(O)c(c(O)3)O)(O1)C(O)C(O)C(O)C(COC(O2)C(C(O)C(O)C2C)O)1 |
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
-3.0178 1.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0178 0.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3030 -0.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5883 0.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5883 1.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3030 1.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8735 -0.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1587 0.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1587 1.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8735 1.4146 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.5558 1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2843 0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0128 1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0128 2.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2843 2.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5558 2.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7323 1.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7411 2.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3030 -1.0612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7606 -0.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2843 3.5171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4027 -2.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0581 -2.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7209 -2.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3876 -2.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7323 -2.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0696 -2.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7627 -2.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6655 -0.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1781 -0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8673 -0.5969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4622 -0.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9497 -0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2606 -0.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9883 0.0394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9366 -0.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5996 -0.7186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1881 -0.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5191 -1.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4964 -2.8544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3230 -3.3372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3876 -3.5171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7411 0.9939 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
13 43 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAGGL0006
FORMULA C27H31O16
EXACTMASS 611.161209944
AVERAGEMASS 611.52544
SMILES C(Oc(c4)c([o+1]c(c5)c(c(cc5O)O)4)c(c3)cc(O)c(c(O)3)O)(O1)C(O)C(O)C(O)C(COC(O2)C(C(O)C(O)C2C)O)1
M END
