Mol:FL7AEGGL0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 44 48 0 0 0 0 0 0 0 0999 V2000 | + | 44 48 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.0797 0.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0797 0.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0797 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0797 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3649 -0.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3649 -0.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6501 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6501 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6501 0.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6501 0.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3649 1.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3649 1.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9354 -0.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9354 -0.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2206 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2206 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2206 0.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2206 0.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9354 1.0949 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.9354 1.0949 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4939 1.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4939 1.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2224 0.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2224 0.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9509 1.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9509 1.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9509 1.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9509 1.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2224 2.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2224 2.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4939 1.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4939 1.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7942 1.0946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7942 1.0946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6792 2.3563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6792 2.3563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3649 -1.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3649 -1.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5928 -0.5658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5928 -0.5658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2224 3.1974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2224 3.1974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4646 -2.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4646 -2.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1200 -2.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1200 -2.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7827 -2.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7827 -2.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4494 -2.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4494 -2.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7942 -2.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7942 -2.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1314 -2.2082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1314 -2.2082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8246 -2.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8246 -2.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7473 -0.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7473 -0.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4027 -0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4027 -0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0655 -0.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0655 -0.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7322 -0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7322 -0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0769 -0.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0769 -0.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4142 -0.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4142 -0.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0675 -0.3123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0675 -0.3123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8947 0.1425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8947 0.1425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7931 -0.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7931 -0.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3449 -0.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3449 -0.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6635 -1.2927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6635 -1.2927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5789 -2.5141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5789 -2.5141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3024 -2.9969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3024 -2.9969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4494 -3.1974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4494 -3.1974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6792 0.6742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6792 0.6742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7942 -0.5557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7942 -0.5557 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 |
| − | 2 44 1 0 0 0 0 | + | 2 44 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AEGGL0001 | + | ID FL7AEGGL0001 |
| − | FORMULA C27H31O17 | + | FORMULA C27H31O17 |
| − | EXACTMASS 627.156124566 | + | EXACTMASS 627.156124566 |
| − | AVERAGEMASS 627.52484 | + | AVERAGEMASS 627.52484 |
| − | SMILES C(O)(C(Oc(c4)c([o+1]c(c5)c4c(O)c(O)c5O)c(c3)cc(O)c(c3O)O)1)C(O)C(O)C(COC(O2)C(C(O)C(O)C2C)O)O1 | + | SMILES C(O)(C(Oc(c4)c([o+1]c(c5)c4c(O)c(O)c5O)c(c3)cc(O)c(c3O)O)1)C(O)C(O)C(COC(O2)C(C(O)C(O)C2C)O)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-3.0797 0.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0797 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3649 -0.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6501 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6501 0.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3649 1.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9354 -0.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2206 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2206 0.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9354 1.0949 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.4939 1.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2224 0.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9509 1.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9509 1.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2224 2.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4939 1.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7942 1.0946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6792 2.3563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3649 -1.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5928 -0.5658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2224 3.1974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4646 -2.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1200 -2.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7827 -2.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4494 -2.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7942 -2.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1314 -2.2082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8246 -2.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7473 -0.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4027 -0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0655 -0.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7322 -0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0769 -0.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4142 -0.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0675 -0.3123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8947 0.1425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7931 -0.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3449 -0.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6635 -1.2927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5789 -2.5141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3024 -2.9969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4494 -3.1974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6792 0.6742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7942 -0.5557 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
2 44 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AEGGL0001
FORMULA C27H31O17
EXACTMASS 627.156124566
AVERAGEMASS 627.52484
SMILES C(O)(C(Oc(c4)c([o+1]c(c5)c4c(O)c(O)c5O)c(c3)cc(O)c(c3O)O)1)C(O)C(O)C(COC(O2)C(C(O)C(O)C2C)O)O1
M END
