Mol:FL5FABGI0025
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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− | 28 37 1 0 0 0 0 | + | 28 37 1 0 0 0 0 |
− | 36 38 1 0 0 0 0 | + | 36 38 1 0 0 0 0 |
− | 38 39 2 0 0 0 0 | + | 38 39 2 0 0 0 0 |
− | 38 40 1 0 0 0 0 | + | 38 40 1 0 0 0 0 |
− | 32 19 1 0 0 0 0 | + | 32 19 1 0 0 0 0 |
− | 41 42 1 1 0 0 0 | + | 41 42 1 1 0 0 0 |
− | 42 43 1 1 0 0 0 | + | 42 43 1 1 0 0 0 |
− | 44 43 1 1 0 0 0 | + | 44 43 1 1 0 0 0 |
− | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
− | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
− | 46 41 1 0 0 0 0 | + | 46 41 1 0 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 |
− | 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 |
− | 43 51 1 0 0 0 0 | + | 43 51 1 0 0 0 0 |
− | 44 35 1 0 0 0 0 | + | 44 35 1 0 0 0 0 |
− | 49 52 1 0 0 0 0 | + | 49 52 1 0 0 0 0 |
− | 52 53 2 0 0 0 0 | + | 52 53 2 0 0 0 0 |
− | 52 54 1 0 0 0 0 | + | 52 54 1 0 0 0 0 |
− | 48 55 1 0 0 0 0 | + | 48 55 1 0 0 0 0 |
− | 55 56 2 0 0 0 0 | + | 55 56 2 0 0 0 0 |
− | 55 57 1 0 0 0 0 | + | 55 57 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FABGI0025 | + | ID FL5FABGI0025 |
− | FORMULA C39H46O18 | + | FORMULA C39H46O18 |
− | EXACTMASS 802.2684146680001 | + | EXACTMASS 802.2684146680001 |
− | AVERAGEMASS 802.77174 | + | AVERAGEMASS 802.77174 |
− | SMILES C(C1OC(=C4c(c5)ccc(c5)OC)C(=O)c(c(O)3)c(O4)c(c(O)c3)CC=C(C)C)(C(OC(O2)C(C(C(C(COC(C)=O)2)OC(C)=O)O)O)C(OC(C)=O)C(O1)C)O | + | SMILES C(C1OC(=C4c(c5)ccc(c5)OC)C(=O)c(c(O)3)c(O4)c(c(O)c3)CC=C(C)C)(C(OC(O2)C(C(C(C(COC(C)=O)2)OC(C)=O)O)O)C(OC(C)=O)C(O1)C)O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 57 61 0 0 0 0 0 0 0 0999 V2000 1.7423 2.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0278 2.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0278 3.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7423 3.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4569 3.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4569 2.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3132 2.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4012 2.5123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1158 2.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1158 1.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4012 0.8622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3132 1.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8303 2.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5448 2.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5448 1.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8303 0.8622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4012 0.1552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0603 3.6858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9225 0.9230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8303 0.1866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2135 2.4859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8303 3.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4337 3.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4337 4.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7702 4.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1207 4.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7649 3.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1938 -0.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4075 -1.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3003 -0.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1256 -0.6847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3394 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6315 -0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2692 -1.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0283 -1.4795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9396 -0.9711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8445 -0.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5257 -1.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 -0.9310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5270 -1.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2827 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4825 -3.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 -2.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3603 -2.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1604 -1.8957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5670 -2.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1777 -2.5465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 -3.0069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6273 -3.7914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9724 -3.6315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2609 -2.5638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5894 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0770 -4.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0421 -4.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3047 -3.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7649 -3.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3132 -3.9319 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 11 17 2 0 0 0 0 5 18 1 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 14 21 1 0 0 0 0 13 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 18 27 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 1 0 0 0 31 30 1 1 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 28 1 0 0 0 0 31 34 1 0 0 0 0 30 35 1 0 0 0 0 29 36 1 0 0 0 0 28 37 1 0 0 0 0 36 38 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 32 19 1 0 0 0 0 41 42 1 1 0 0 0 42 43 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 41 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 41 49 1 0 0 0 0 42 50 1 0 0 0 0 43 51 1 0 0 0 0 44 35 1 0 0 0 0 49 52 1 0 0 0 0 52 53 2 0 0 0 0 52 54 1 0 0 0 0 48 55 1 0 0 0 0 55 56 2 0 0 0 0 55 57 1 0 0 0 0 S SKP 5 ID FL5FABGI0025 FORMULA C39H46O18 EXACTMASS 802.2684146680001 AVERAGEMASS 802.77174 SMILES C(C1OC(=C4c(c5)ccc(c5)OC)C(=O)c(c(O)3)c(O4)c(c(O)c3)CC=C(C)C)(C(OC(O2)C(C(C(C(COC(C)=O)2)OC(C)=O)O)O)C(OC(C)=O)C(O1)C)O M END