Mol:FL5FAAGS0132
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 64 70 0 0 0 0 0 0 0 0999 V2000 | + | 64 70 0 0 0 0 0 0 0 0999 V2000 |
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| − | 2.5564 2.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5564 2.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.6330 0.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6330 0.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1559 1.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1559 1.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4023 1.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4023 1.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1777 2.2245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1777 2.2245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6549 1.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6549 1.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2741 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2741 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8250 1.3694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8250 1.3694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7128 0.5314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7128 0.5314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0580 0.5924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0580 0.5924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3382 1.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3382 1.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5830 0.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5830 0.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3005 1.3482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3005 1.3482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.8574 -0.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8574 -0.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.8251 -3.5831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8251 -3.5831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1816 -0.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1816 -0.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.9944 -0.1068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9944 -0.1068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.5314 -1.2947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5314 -1.2947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.6538 -0.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6538 -0.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0835 -3.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0835 -3.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9088 -3.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9088 -3.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1219 -2.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1219 -2.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7117 -1.8011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7117 -1.8011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8863 -1.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8863 -1.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6731 -2.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6731 -2.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0258 -2.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0258 -2.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6315 -3.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6315 -3.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9151 -3.7998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9151 -3.7998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4217 -3.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4217 -3.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9453 -2.2885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9453 -2.2885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 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 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 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 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 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 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 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 35 36 2 0 0 0 0 | + | 35 36 2 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 2 0 0 0 0 | + | 37 38 2 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 40 2 0 0 0 0 | + | 39 40 2 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 41 42 2 0 0 0 0 | + | 41 42 2 0 0 0 0 |
| − | 42 37 1 0 0 0 0 | + | 42 37 1 0 0 0 0 |
| − | 40 43 1 0 0 0 0 | + | 40 43 1 0 0 0 0 |
| − | 29 33 1 0 0 0 0 | + | 29 33 1 0 0 0 0 |
| − | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
| − | 45 46 1 1 0 0 0 | + | 45 46 1 1 0 0 0 |
| − | 47 46 1 1 0 0 0 | + | 47 46 1 1 0 0 0 |
| − | 48 47 1 1 0 0 0 | + | 48 47 1 1 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 44 1 0 0 0 0 | + | 49 44 1 0 0 0 0 |
| − | 47 50 1 0 0 0 0 | + | 47 50 1 0 0 0 0 |
| − | 46 51 1 0 0 0 0 | + | 46 51 1 0 0 0 0 |
| − | 45 52 1 0 0 0 0 | + | 45 52 1 0 0 0 0 |
| − | 44 53 1 0 0 0 0 | + | 44 53 1 0 0 0 0 |
| − | 48 19 1 0 0 0 0 | + | 48 19 1 0 0 0 0 |
| − | 54 55 1 1 0 0 0 | + | 54 55 1 1 0 0 0 |
| − | 55 56 1 1 0 0 0 | + | 55 56 1 1 0 0 0 |
| − | 57 56 1 1 0 0 0 | + | 57 56 1 1 0 0 0 |
| − | 57 58 1 0 0 0 0 | + | 57 58 1 0 0 0 0 |
| − | 58 59 1 0 0 0 0 | + | 58 59 1 0 0 0 0 |
| − | 59 54 1 0 0 0 0 | + | 59 54 1 0 0 0 0 |
| − | 59 60 1 0 0 0 0 | + | 59 60 1 0 0 0 0 |
| − | 60 61 1 0 0 0 0 | + | 60 61 1 0 0 0 0 |
| − | 54 62 1 0 0 0 0 | + | 54 62 1 0 0 0 0 |
| − | 55 63 1 0 0 0 0 | + | 55 63 1 0 0 0 0 |
| − | 56 64 1 0 0 0 0 | + | 56 64 1 0 0 0 0 |
| − | 57 50 1 0 0 0 0 | + | 57 50 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGS0132 | + | ID FL5FAAGS0132 |
| − | FORMULA C42H46O22 | + | FORMULA C42H46O22 |
| − | EXACTMASS 902.248073156 | + | EXACTMASS 902.248073156 |
| − | AVERAGEMASS 902.80144 | + | AVERAGEMASS 902.80144 |
| − | SMILES O(C(C=Cc(c7)ccc(c7)O)=O)CC(O1)C(O)C(O)C(O)C1Oc(c6)cc(c(c62)C(C(OC(C4OC(C5O)OC(C(O)C5O)CO)OC(C(C4O)O)C)=C(c(c3)ccc(O)c3)O2)=O)O | + | SMILES O(C(C=Cc(c7)ccc(c7)O)=O)CC(O1)C(O)C(O)C(O)C1Oc(c6)cc(c(c62)C(C(OC(C4OC(C5O)OC(C(O)C5O)CO)OC(C(C4O)O)C)=C(c(c3)ccc(O)c3)O2)=O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
64 70 0 0 0 0 0 0 0 0999 V2000
3.2709 3.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2709 2.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9853 2.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6998 2.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6998 3.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9853 3.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5564 2.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8419 2.5623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1274 2.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1274 1.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8419 0.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5564 1.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4130 2.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3015 2.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3015 1.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4130 0.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8419 0.1940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0353 2.4784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2340 0.8900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3005 3.7341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4130 0.2127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4085 1.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6330 0.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1559 1.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4023 1.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.3382 1.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5830 0.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3005 1.3482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5749 0.1194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8574 -0.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8494 -1.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5597 -1.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5517 -2.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8331 -2.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1228 -2.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1309 -1.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8251 -3.5831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1816 -0.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1047 -1.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7313 -0.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5441 -0.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6211 0.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9944 -0.1068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8138 -1.0514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5314 -1.2947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6284 -1.1067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6538 -0.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0835 -3.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9088 -3.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1219 -2.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7117 -1.8011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8863 -1.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6731 -2.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0258 -2.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6315 -3.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9151 -3.7998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4217 -3.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9453 -2.2885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 21 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 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 18 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
42 37 1 0 0 0 0
40 43 1 0 0 0 0
29 33 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 1 0 0 0
47 46 1 1 0 0 0
48 47 1 1 0 0 0
48 49 1 0 0 0 0
49 44 1 0 0 0 0
47 50 1 0 0 0 0
46 51 1 0 0 0 0
45 52 1 0 0 0 0
44 53 1 0 0 0 0
48 19 1 0 0 0 0
54 55 1 1 0 0 0
55 56 1 1 0 0 0
57 56 1 1 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
59 54 1 0 0 0 0
59 60 1 0 0 0 0
60 61 1 0 0 0 0
54 62 1 0 0 0 0
55 63 1 0 0 0 0
56 64 1 0 0 0 0
57 50 1 0 0 0 0
S SKP 5
ID FL5FAAGS0132
FORMULA C42H46O22
EXACTMASS 902.248073156
AVERAGEMASS 902.80144
SMILES O(C(C=Cc(c7)ccc(c7)O)=O)CC(O1)C(O)C(O)C(O)C1Oc(c6)cc(c(c62)C(C(OC(C4OC(C5O)OC(C(O)C5O)CO)OC(C(C4O)O)C)=C(c(c3)ccc(O)c3)O2)=O)O
M END
