Mol:FL5FAGGS0036
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
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− | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
− | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
− | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
− | 37 38 2 0 0 0 0 | + | 37 38 2 0 0 0 0 |
− | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
− | 28 19 1 0 0 0 0 | + | 28 19 1 0 0 0 0 |
− | 40 41 1 1 0 0 0 | + | 40 41 1 1 0 0 0 |
− | 41 42 1 1 0 0 0 | + | 41 42 1 1 0 0 0 |
− | 43 42 1 1 0 0 0 | + | 43 42 1 1 0 0 0 |
− | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
− | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
− | 45 40 1 0 0 0 0 | + | 45 40 1 0 0 0 0 |
− | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
− | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
− | 40 48 1 0 0 0 0 | + | 40 48 1 0 0 0 0 |
− | 41 49 1 0 0 0 0 | + | 41 49 1 0 0 0 0 |
− | 42 50 1 0 0 0 0 | + | 42 50 1 0 0 0 0 |
− | 49 51 1 0 0 0 0 | + | 49 51 1 0 0 0 0 |
− | 51 52 2 0 0 0 0 | + | 51 52 2 0 0 0 0 |
− | 51 53 1 0 0 0 0 | + | 51 53 1 0 0 0 0 |
− | 47 54 1 0 0 0 0 | + | 47 54 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 |
− | 43 32 1 0 0 0 0 | + | 43 32 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FAGGS0036 | + | ID FL5FAGGS0036 |
− | FORMULA C35H38O21 | + | FORMULA C35H38O21 |
− | EXACTMASS 794.190558278 | + | EXACTMASS 794.190558278 |
− | AVERAGEMASS 794.66362 | + | AVERAGEMASS 794.66362 |
− | SMILES C(OC(C)=O)(C(O)5)C(O)C(OC5COC(C)=O)OC(C(C)1)C(OC(C)=O)C(OC(C)=O)C(OC(C(=O)2)=C(c(c4)cc(c(c(O)4)O)O)Oc(c3)c2c(O)cc3O)O1 | + | SMILES C(OC(C)=O)(C(O)5)C(O)C(OC5COC(C)=O)OC(C(C)1)C(OC(C)=O)C(OC(C)=O)C(OC(C(=O)2)=C(c(c4)cc(c(c(O)4)O)O)Oc(c3)c2c(O)cc3O)O1 |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 56 60 0 0 0 0 0 0 0 0999 V2000 2.8334 1.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1189 2.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1189 3.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8334 3.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5479 3.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5479 2.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4044 1.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 2.3012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0245 1.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0245 1.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 0.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4044 1.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 2.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4534 1.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4534 1.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 0.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -0.0557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1679 2.3012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1189 0.6512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 -0.0398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2623 3.5387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8334 4.3637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2258 1.9098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6159 -0.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2032 -1.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9967 -0.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7950 -1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2078 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4142 -0.5684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8096 -1.7650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2833 -1.6206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4374 -1.0269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0037 -0.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8096 -2.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2447 -2.7924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2970 -2.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2833 -2.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3163 -2.6570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8026 -2.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7909 -2.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9938 -2.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5771 -2.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8556 -1.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6528 -1.6069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0695 -2.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5629 -2.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1404 -2.4662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1027 -3.2602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6248 -3.3325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8714 -2.2212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1524 -3.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1524 -4.3637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5771 -3.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6767 -1.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2623 -2.4068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6767 -1.3112 0.0000 C 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 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 6 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 28 27 1 1 0 0 0 28 29 1 0 0 0 0 29 24 1 0 0 0 0 27 30 1 0 0 0 0 26 31 1 0 0 0 0 25 32 1 0 0 0 0 24 33 1 0 0 0 0 30 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 31 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 28 19 1 0 0 0 0 40 41 1 1 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 40 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 40 48 1 0 0 0 0 41 49 1 0 0 0 0 42 50 1 0 0 0 0 49 51 1 0 0 0 0 51 52 2 0 0 0 0 51 53 1 0 0 0 0 47 54 1 0 0 0 0 54 55 2 0 0 0 0 54 56 1 0 0 0 0 43 32 1 0 0 0 0 S SKP 5 ID FL5FAGGS0036 FORMULA C35H38O21 EXACTMASS 794.190558278 AVERAGEMASS 794.66362 SMILES C(OC(C)=O)(C(O)5)C(O)C(OC5COC(C)=O)OC(C(C)1)C(OC(C)=O)C(OC(C)=O)C(OC(C(=O)2)=C(c(c4)cc(c(c(O)4)O)O)Oc(c3)c2c(O)cc3O)O1 M END