Mol:FL5FADGL0008
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 |
− | -3.3238 0.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3238 0.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3238 -0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3238 -0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6092 -0.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6092 -0.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8947 -0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8947 -0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8947 0.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8947 0.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6092 0.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6092 0.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1802 -0.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1802 -0.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4656 -0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4656 -0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4656 0.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4656 0.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1802 0.9450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1802 0.9450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1802 -1.3485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1802 -1.3485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4340 1.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4340 1.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1622 0.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1622 0.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8905 1.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8905 1.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8905 1.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8905 1.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1622 2.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1622 2.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4340 1.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4340 1.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6092 -1.5299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6092 -1.5299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5503 2.4617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5503 2.4617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1773 1.0251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1773 1.0251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1046 -0.8630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1046 -0.8630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7237 -1.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7237 -1.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0688 -1.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0688 -1.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3531 -2.3158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3531 -2.3158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3408 -3.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3408 -3.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1333 -3.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1333 -3.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7114 -2.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7114 -2.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5753 -1.2962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5753 -1.2962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3145 -2.9960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3145 -2.9960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9538 -3.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9538 -3.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7544 -2.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7544 -2.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5098 -2.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5098 -2.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0611 -2.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0611 -2.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7077 -1.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7077 -1.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0153 -1.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0153 -1.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5711 -2.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5711 -2.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9432 -2.9557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9432 -2.9557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7709 -2.2247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7709 -2.2247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9270 -1.4173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9270 -1.4173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1771 3.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1771 3.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7442 4.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7442 4.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2909 -4.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2909 -4.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9879 -4.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9879 -4.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6474 -1.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6474 -1.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1773 -0.0937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1773 -0.0937 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 |
− | 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 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
− | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
− | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
− | 21 8 1 0 0 0 0 | + | 21 8 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 |
− | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
− | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
− | 23 21 1 0 0 0 0 | + | 23 21 1 0 0 0 0 |
− | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
− | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
− | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
− | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
− | 32 37 1 0 0 0 0 | + | 32 37 1 0 0 0 0 |
− | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
− | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
− | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
− | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
− | 16 40 1 0 0 0 0 | + | 16 40 1 0 0 0 0 |
− | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
− | 25 42 1 0 0 0 0 | + | 25 42 1 0 0 0 0 |
− | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
− | 35 44 1 0 0 0 0 | + | 35 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 40 41 | + | M SAL 1 2 40 41 |
− | M SBL 1 1 45 | + | M SBL 1 1 45 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SBV 1 45 -0.0149 -0.6357 | + | M SBV 1 45 -0.0149 -0.6357 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 42 43 | + | M SAL 2 2 42 43 |
− | M SBL 2 1 47 | + | M SBL 2 1 47 |
− | M SMT 2 ^ CH2OH | + | M SMT 2 ^ CH2OH |
− | M SBV 2 47 0.0499 0.8927 | + | M SBV 2 47 0.0499 0.8927 |
− | M STY 1 3 SUP | + | M STY 1 3 SUP |
− | M SLB 1 3 3 | + | M SLB 1 3 3 |
− | M SAL 3 2 44 45 | + | M SAL 3 2 44 45 |
− | M SBL 3 1 49 | + | M SBL 3 1 49 |
− | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
− | M SBV 3 49 -0.6322 -0.4913 | + | M SBV 3 49 -0.6322 -0.4913 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FADGL0008 | + | ID FL5FADGL0008 |
− | FORMULA C28H32O17 | + | FORMULA C28H32O17 |
− | EXACTMASS 640.163949598 | + | EXACTMASS 640.163949598 |
− | AVERAGEMASS 640.54348 | + | AVERAGEMASS 640.54348 |
− | SMILES C(O)C(O1)C(O)C(OC(C5O)OC(C(C(O)5)O)CO)C(O)C(OC(=C2c(c4)ccc(c4OC)O)C(c(c3O)c(cc(O)c3)O2)=O)1 | + | SMILES C(O)C(O1)C(O)C(OC(C5O)OC(C(C(O)5)O)CO)C(O)C(OC(=C2c(c4)ccc(c4OC)O)C(c(c3O)c(cc(O)c3)O2)=O)1 |
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 -3.3238 0.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3238 -0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6092 -0.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8947 -0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8947 0.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6092 0.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1802 -0.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4656 -0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4656 0.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1802 0.9450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1802 -1.3485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 1.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1622 0.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8905 1.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8905 1.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1622 2.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 1.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6092 -1.5299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5503 2.4617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1773 1.0251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1046 -0.8630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7237 -1.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0688 -1.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3531 -2.3158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3408 -3.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1333 -3.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7114 -2.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5753 -1.2962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3145 -2.9960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9538 -3.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7544 -2.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5098 -2.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0611 -2.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7077 -1.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0153 -1.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5711 -2.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9432 -2.9557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7709 -2.2247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9270 -1.4173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1771 3.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7442 4.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2909 -4.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9879 -4.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6474 -1.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1773 -0.0937 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 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 15 1 0 0 0 0 4 3 1 0 0 0 0 1 20 1 0 0 0 0 21 8 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 27 29 1 0 0 0 0 26 30 1 0 0 0 0 23 21 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 32 37 1 0 0 0 0 33 38 1 0 0 0 0 34 39 1 0 0 0 0 29 31 1 0 0 0 0 40 41 1 0 0 0 0 16 40 1 0 0 0 0 42 43 1 0 0 0 0 25 42 1 0 0 0 0 44 45 1 0 0 0 0 35 44 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 40 41 M SBL 1 1 45 M SMT 1 OCH3 M SBV 1 45 -0.0149 -0.6357 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 42 43 M SBL 2 1 47 M SMT 2 ^ CH2OH M SBV 2 47 0.0499 0.8927 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 44 45 M SBL 3 1 49 M SMT 3 CH2OH M SBV 3 49 -0.6322 -0.4913 S SKP 5 ID FL5FADGL0008 FORMULA C28H32O17 EXACTMASS 640.163949598 AVERAGEMASS 640.54348 SMILES C(O)C(O1)C(O)C(OC(C5O)OC(C(C(O)5)O)CO)C(O)C(OC(=C2c(c4)ccc(c4OC)O)C(c(c3O)c(cc(O)c3)O2)=O)1 M END