Mol:FL5FFCGL0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 45 49 0 0 0 0 0 0 0 0999 V2000 | + | 45 49 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.2113 0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2113 0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2113 0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2113 0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5102 -0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5102 -0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8091 0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8091 0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8091 0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8091 0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5102 1.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5102 1.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1080 -0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1080 -0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4069 0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4069 0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4069 0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4069 0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1080 1.2925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1080 1.2925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1080 -1.1338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1080 -1.1338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2940 1.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2940 1.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0086 0.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0086 0.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7230 1.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7230 1.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7230 2.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7230 2.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0086 2.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0086 2.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2940 2.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2940 2.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5102 -1.1359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5102 -1.1359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5214 -1.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5214 -1.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0329 -2.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0329 -2.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9725 -2.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9725 -2.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9176 -2.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9176 -2.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4141 -1.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4141 -1.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4666 -1.9528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4666 -1.9528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6197 -1.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6197 -1.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6190 0.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6190 0.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1305 -0.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1305 -0.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0699 -0.2759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0699 -0.2759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0152 -0.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0152 -0.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5038 0.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5038 0.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5642 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5642 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3501 -0.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3501 -0.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1588 0.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1588 0.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8092 -0.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8092 -0.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2091 -0.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2091 -0.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3526 -2.2956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3526 -2.2956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4217 -2.9378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4217 -2.9378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9176 -3.3549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9176 -3.3549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7590 0.2099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7590 0.2099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4375 2.5299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4375 2.5299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0086 3.3549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0086 3.3549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5102 2.1019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5102 2.1019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3255 0.2239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3255 0.2239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7841 1.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7841 1.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4141 2.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4141 2.3099 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 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 28 29 1 1 0 0 0 | + | 28 29 1 1 0 0 0 |
| − | 30 29 1 1 0 0 0 | + | 30 29 1 1 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 26 1 0 0 0 0 | + | 31 26 1 0 0 0 0 |
| − | 31 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
| − | 29 34 1 0 0 0 0 | + | 29 34 1 0 0 0 0 |
| − | 23 35 1 0 0 0 0 | + | 23 35 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 20 36 1 0 0 0 0 | + | 20 36 1 0 0 0 0 |
| − | 21 37 1 0 0 0 0 | + | 21 37 1 0 0 0 0 |
| − | 22 38 1 0 0 0 0 | + | 22 38 1 0 0 0 0 |
| − | 32 8 1 0 0 0 0 | + | 32 8 1 0 0 0 0 |
| − | 27 32 1 0 0 0 0 | + | 27 32 1 0 0 0 0 |
| − | 26 39 1 0 0 0 0 | + | 26 39 1 0 0 0 0 |
| − | 15 40 1 0 0 0 0 | + | 15 40 1 0 0 0 0 |
| − | 16 41 1 0 0 0 0 | + | 16 41 1 0 0 0 0 |
| − | 6 42 1 0 0 0 0 | + | 6 42 1 0 0 0 0 |
| − | 30 43 1 0 0 0 0 | + | 30 43 1 0 0 0 0 |
| − | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
| − | 1 44 1 0 0 0 0 | + | 1 44 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 44 45 | + | M SAL 1 2 44 45 |
| − | M SBL 1 1 49 | + | M SBL 1 1 49 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 49 0.5728 -0.3307 | + | M SBV 1 49 0.5728 -0.3307 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FFCGL0005 | + | ID FL5FFCGL0005 |
| − | FORMULA C28H32O17 | + | FORMULA C28H32O17 |
| − | EXACTMASS 640.163949598 | + | EXACTMASS 640.163949598 |
| − | AVERAGEMASS 640.54348 | + | AVERAGEMASS 640.54348 |
| − | SMILES C(C1O)(O)C(C(OC(C4=O)=C(Oc(c(O)5)c4c(cc5OC)O)c(c3)cc(O)c(c3)O)OC1COC(O2)C(C(C(O)C(C)2)O)O)O | + | SMILES C(C1O)(O)C(C(OC(C4=O)=C(Oc(c(O)5)c4c(cc5OC)O)c(c3)cc(O)c(c3)O)OC1COC(O2)C(C(C(O)C(C)2)O)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-3.2113 0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2113 0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5102 -0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8091 0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8091 0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5102 1.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1080 -0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4069 0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4069 0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1080 1.2925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1080 -1.1338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2940 1.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0086 0.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7230 1.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7230 2.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0086 2.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2940 2.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5102 -1.1359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5214 -1.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0329 -2.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9725 -2.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9176 -2.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4141 -1.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4666 -1.9528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6197 -1.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6190 0.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1305 -0.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0699 -0.2759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0152 -0.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5038 0.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5642 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3501 -0.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1588 0.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8092 -0.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2091 -0.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3526 -2.2956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4217 -2.9378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9176 -3.3549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7590 0.2099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4375 2.5299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0086 3.3549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5102 2.1019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3255 0.2239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7841 1.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4141 2.3099 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 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 1 0 0 0
28 29 1 1 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 26 1 0 0 0 0
31 33 1 0 0 0 0
29 34 1 0 0 0 0
23 35 1 0 0 0 0
34 35 1 0 0 0 0
20 36 1 0 0 0 0
21 37 1 0 0 0 0
22 38 1 0 0 0 0
32 8 1 0 0 0 0
27 32 1 0 0 0 0
26 39 1 0 0 0 0
15 40 1 0 0 0 0
16 41 1 0 0 0 0
6 42 1 0 0 0 0
30 43 1 0 0 0 0
44 45 1 0 0 0 0
1 44 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 44 45
M SBL 1 1 49
M SMT 1 ^ OCH3
M SBV 1 49 0.5728 -0.3307
S SKP 5
ID FL5FFCGL0005
FORMULA C28H32O17
EXACTMASS 640.163949598
AVERAGEMASS 640.54348
SMILES C(C1O)(O)C(C(OC(C4=O)=C(Oc(c(O)5)c4c(cc5OC)O)c(c3)cc(O)c(c3)O)OC1COC(O2)C(C(C(O)C(C)2)O)O)O
M END
