Mol:FL5FAAGS0084
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 53 58 0 0 0 0 0 0 0 0999 V2000 1.1287 3.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1287 2.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8431 2.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5576 2.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5576 3.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8431 4.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4142 2.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3004 2.9890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0149 2.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0149 1.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3004 1.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4142 1.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7293 2.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4438 2.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4438 1.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7293 1.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3004 0.6207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1583 2.9890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0205 1.4014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1583 4.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7293 0.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5956 -0.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2291 -0.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4253 -0.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0026 0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1778 0.5096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0185 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6068 -0.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9963 -0.8546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7515 -1.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1682 -1.3596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2995 0.1044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5957 -3.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7718 -3.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5136 -2.8361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8921 -2.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7161 -2.2514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9744 -3.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5499 -3.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9166 -3.4966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7814 -4.2265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2522 -4.0838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 -2.7104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 -1.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7221 -2.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8592 -1.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -0.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9246 -0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9970 -1.1656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2885 -2.2878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3559 -2.6272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0029 -2.2493 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 5 20 1 0 0 0 0 16 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 19 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 33 41 1 0 0 0 0 34 42 1 0 0 0 0 35 43 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 44 1 0 0 0 0 47 50 1 0 0 0 0 46 51 1 0 0 0 0 45 52 1 0 0 0 0 44 53 1 0 0 0 0 48 32 1 0 0 0 0 36 30 1 0 0 0 0 S SKP 5 ID FL5FAAGS0084 FORMULA C33H40O20 EXACTMASS 756.21129372 AVERAGEMASS 756.6587 SMILES OCC(C1OC(C(O)6)OC(CO)C(O)C6O)OC(OC(C4=O)=C(c(c5)ccc(O)c5)Oc(c43)cc(O)cc3O)C(OC(C(O)2)OC(C)C(O)C2O)C1O M END
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