Mol:FL5FAAGS0133
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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| − | 2.6584 2.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6584 2.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 4.6880 3.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6880 3.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.6041 1.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6041 1.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8106 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8106 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0123 1.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0123 1.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5995 1.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5995 1.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3931 1.5115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3931 1.5115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0375 0.3049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0375 0.3049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3266 0.5675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3266 0.5675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1365 1.1413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1365 1.1413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9260 1.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9260 1.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3139 -1.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3139 -1.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1392 -1.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1392 -1.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3517 -0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3517 -0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.1157 -0.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1157 -0.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.3176 -0.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3176 -0.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9221 -1.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9221 -1.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2079 -2.0009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2079 -2.0009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7776 -1.9092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7776 -1.9092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1768 -0.4281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1768 -0.4281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2201 -3.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2201 -3.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0212 -3.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0212 -3.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4241 -2.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4241 -2.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1379 -2.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1379 -2.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3368 -1.8984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3368 -1.8984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.1773 -2.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1773 -2.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3561 -2.8311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3561 -2.8311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8248 -3.6380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8248 -3.6380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4422 -3.5414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4422 -3.5414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3039 -2.5642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3039 -2.5642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1689 -2.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1689 -2.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2294 -1.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2294 -1.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.3908 -2.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3908 -2.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2145 -2.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2145 -2.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6407 -2.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6407 -2.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4656 -2.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4656 -2.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8642 -2.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8642 -2.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4382 -3.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4382 -3.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6134 -3.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6134 -3.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6880 -2.9034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6880 -2.9034 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 |
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| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
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| − | 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 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 |
| − | 25 24 1 1 0 0 0 | + | 25 24 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 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 24 29 1 0 0 0 0 | + | 24 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
| − | 26 18 1 0 0 0 0 | + | 26 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 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 32 40 1 0 0 0 0 | + | 32 40 1 0 0 0 0 |
| − | 33 41 1 0 0 0 0 | + | 33 41 1 0 0 0 0 |
| − | 34 42 1 0 0 0 0 | + | 34 42 1 0 0 0 0 |
| − | 35 19 1 0 0 0 0 | + | 35 19 1 0 0 0 0 |
| − | 43 44 1 1 0 0 0 | + | 43 44 1 1 0 0 0 |
| − | 44 45 1 1 0 0 0 | + | 44 45 1 1 0 0 0 |
| − | 46 45 1 1 0 0 0 | + | 46 45 1 1 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 48 43 1 0 0 0 0 | + | 48 43 1 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 50 1 0 0 0 0 | + | 49 50 1 0 0 0 0 |
| − | 43 51 1 0 0 0 0 | + | 43 51 1 0 0 0 0 |
| − | 44 52 1 0 0 0 0 | + | 44 52 1 0 0 0 0 |
| − | 45 53 1 0 0 0 0 | + | 45 53 1 0 0 0 0 |
| − | 54 55 2 0 0 0 0 | + | 54 55 2 0 0 0 0 |
| − | 54 56 1 0 0 0 0 | + | 54 56 1 0 0 0 0 |
| − | 56 57 2 0 0 0 0 | + | 56 57 2 0 0 0 0 |
| − | 57 58 1 0 0 0 0 | + | 57 58 1 0 0 0 0 |
| − | 58 59 2 0 0 0 0 | + | 58 59 2 0 0 0 0 |
| − | 59 60 1 0 0 0 0 | + | 59 60 1 0 0 0 0 |
| − | 60 61 2 0 0 0 0 | + | 60 61 2 0 0 0 0 |
| − | 61 62 1 0 0 0 0 | + | 61 62 1 0 0 0 0 |
| − | 62 63 2 0 0 0 0 | + | 62 63 2 0 0 0 0 |
| − | 63 58 1 0 0 0 0 | + | 63 58 1 0 0 0 0 |
| − | 61 64 1 0 0 0 0 | + | 61 64 1 0 0 0 0 |
| − | 50 54 1 0 0 0 0 | + | 50 54 1 0 0 0 0 |
| − | 46 42 1 0 0 0 0 | + | 46 42 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGS0133 | + | ID FL5FAAGS0133 |
| − | FORMULA C42H46O22 | + | FORMULA C42H46O22 |
| − | EXACTMASS 902.248073156 | + | EXACTMASS 902.248073156 |
| − | AVERAGEMASS 902.80144 | + | AVERAGEMASS 902.80144 |
| − | SMILES c(c1)(O6)c(C(=O)C(=C(c(c7)ccc(c7)O)6)OC(C(OC(C4O)OC(COC(=O)C=Cc(c5)ccc(O)c5)C(C4O)O)3)OC(CO)C(C3O)O)c(O)cc1OC(O2)C(O)C(O)C(C(C)2)O | + | SMILES c(c1)(O6)c(C(=O)C(=C(c(c7)ccc(c7)O)6)OC(C(OC(C4O)OC(COC(=O)C=Cc(c5)ccc(O)c5)C(C4O)O)3)OC(CO)C(C3O)O)c(O)cc1OC(O2)C(O)C(O)C(C(C)2)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
2.6584 3.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6584 2.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3728 1.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0873 2.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0873 3.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3728 3.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9439 1.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2294 2.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5149 1.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5149 1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2294 0.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9439 1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1995 2.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9140 1.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9140 1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1995 0.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2294 0.0323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6477 2.3785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6215 0.7283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6880 3.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1995 0.0510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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1.3139 -1.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1392 -1.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3517 -0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9410 -0.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1157 -0.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9031 -0.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3176 -0.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9221 -1.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2079 -2.0009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7776 -1.9092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1768 -0.4281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2201 -3.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0212 -3.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4241 -2.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1379 -2.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3368 -1.8984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9337 -2.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1773 -2.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3561 -2.8311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8248 -3.6380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4422 -3.5414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3039 -2.5642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1689 -2.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2294 -1.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9926 -2.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3908 -2.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2145 -2.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6407 -2.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4656 -2.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8642 -2.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4382 -3.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6134 -3.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6880 -2.9034 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 0 0 0 0
23 24 1 1 0 0 0
25 24 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
25 28 1 0 0 0 0
24 29 1 0 0 0 0
23 30 1 0 0 0 0
22 31 1 0 0 0 0
26 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
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43 44 1 1 0 0 0
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54 56 1 0 0 0 0
56 57 2 0 0 0 0
57 58 1 0 0 0 0
58 59 2 0 0 0 0
59 60 1 0 0 0 0
60 61 2 0 0 0 0
61 62 1 0 0 0 0
62 63 2 0 0 0 0
63 58 1 0 0 0 0
61 64 1 0 0 0 0
50 54 1 0 0 0 0
46 42 1 0 0 0 0
S SKP 5
ID FL5FAAGS0133
FORMULA C42H46O22
EXACTMASS 902.248073156
AVERAGEMASS 902.80144
SMILES c(c1)(O6)c(C(=O)C(=C(c(c7)ccc(c7)O)6)OC(C(OC(C4O)OC(COC(=O)C=Cc(c5)ccc(O)c5)C(C4O)O)3)OC(CO)C(C3O)O)c(O)cc1OC(O2)C(O)C(O)C(C(C)2)O
M END
