Mol:FL7AAAGA0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 47 51 0 0 0 0 0 0 0 0999 V2000 | + | 47 51 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9335 1.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9335 1.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9335 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9335 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2191 0.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2191 0.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5047 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5047 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5047 1.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5047 1.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2191 2.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2191 2.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2098 0.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2098 0.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9243 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9243 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9243 1.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9243 1.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2098 2.2114 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | 0.2098 2.2114 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7007 2.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7007 2.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4152 1.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4152 1.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1297 2.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1297 2.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1297 3.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1297 3.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4152 3.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4152 3.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7007 3.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7007 3.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7699 3.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7699 3.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5683 0.6021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5683 0.6021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5135 2.1337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5135 2.1337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2191 -0.2012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2191 -0.2012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7939 -1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7939 -1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0134 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0134 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4510 -0.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4510 -0.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1983 -0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1983 -0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4176 -0.1909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4176 -0.1909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0469 -0.8731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0469 -0.8731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4594 -0.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4594 -0.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6259 -0.5213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6259 -0.5213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8395 -0.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8395 -0.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5575 -1.8643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5575 -1.8643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3238 -0.7894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3238 -0.7894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7253 -2.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7253 -2.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0914 -3.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0914 -3.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4218 -2.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4218 -2.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0915 -1.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0915 -1.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2749 -1.6881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2749 -1.6881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0557 -2.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0557 -2.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2350 -2.2598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2350 -2.2598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3785 -3.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3785 -3.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0236 -3.4847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0236 -3.4847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3409 -0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3409 -0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0554 -0.4651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0554 -0.4651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3409 -1.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3409 -1.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0554 -2.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0554 -2.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7699 -1.7026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7699 -1.7026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0554 -2.9401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0554 -2.9401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7699 -3.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7699 -3.3526 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 |
| − | 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 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 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 |
| − | 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 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
| − | 34 38 1 0 0 0 0 | + | 34 38 1 0 0 0 0 |
| − | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
| − | 32 40 1 0 0 0 0 | + | 32 40 1 0 0 0 0 |
| − | 35 31 1 0 0 0 0 | + | 35 31 1 0 0 0 0 |
| − | 28 41 1 0 0 0 0 | + | 28 41 1 0 0 0 0 |
| − | 41 42 2 0 0 0 0 | + | 41 42 2 0 0 0 0 |
| − | 41 43 1 0 0 0 0 | + | 41 43 1 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | 44 45 2 0 0 0 0 | + | 44 45 2 0 0 0 0 |
| − | 44 46 1 0 0 0 0 | + | 44 46 1 0 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAAGA0007 | + | ID FL7AAAGA0007 |
| − | FORMULA C30H33O17 | + | FORMULA C30H33O17 |
| − | EXACTMASS 665.1717746300001 | + | EXACTMASS 665.1717746300001 |
| − | AVERAGEMASS 665.5728200000001 | + | AVERAGEMASS 665.5728200000001 |
| − | SMILES c(c(OC(O4)C(OC(O5)C(O)C(O)C(O)C5)C(C(C4COC(=O)CC(OC)=O)O)O)2)c(c1[o+1]c2c(c3)ccc(c3)O)c(O)cc(c1)O | + | SMILES c(c(OC(O4)C(OC(O5)C(O)C(O)C(O)C5)C(C(C4COC(=O)CC(OC)=O)O)O)2)c(c1[o+1]c2c(c3)ccc(c3)O)c(O)cc(c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
47 51 0 0 0 0 0 0 0 0999 V2000
-1.9335 1.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9335 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2191 0.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5047 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5047 1.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2191 2.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2098 0.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9243 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9243 1.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2098 2.2114 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.7007 2.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4152 1.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1297 2.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1297 3.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4152 3.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7007 3.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7699 3.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5683 0.6021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5135 2.1337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2191 -0.2012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7939 -1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0134 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4510 -0.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1983 -0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4176 -0.1909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0469 -0.8731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4594 -0.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6259 -0.5213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8395 -0.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5575 -1.8643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3238 -0.7894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7253 -2.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0914 -3.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4218 -2.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0915 -1.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2749 -1.6881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0557 -2.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2350 -2.2598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3785 -3.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0236 -3.4847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3409 -0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0554 -0.4651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3409 -1.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0554 -2.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7699 -1.7026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0554 -2.9401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7699 -3.3526 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
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
14 17 1 0 0 0 0
8 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 18 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
34 38 1 0 0 0 0
33 39 1 0 0 0 0
32 40 1 0 0 0 0
35 31 1 0 0 0 0
28 41 1 0 0 0 0
41 42 2 0 0 0 0
41 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 2 0 0 0 0
44 46 1 0 0 0 0
46 47 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAAGA0007
FORMULA C30H33O17
EXACTMASS 665.1717746300001
AVERAGEMASS 665.5728200000001
SMILES c(c(OC(O4)C(OC(O5)C(O)C(O)C(O)C5)C(C(C4COC(=O)CC(OC)=O)O)O)2)c(c1[o+1]c2c(c3)ccc(c3)O)c(O)cc(c1)O
M END
