Mol:FL5FAAGL0029
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 53 58 0 0 0 0 0 0 0 0999 V2000 -4.0602 1.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0602 1.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3591 0.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 1.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 1.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3591 2.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9568 0.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2557 1.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2557 1.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9568 2.3344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9568 0.0841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5549 2.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1597 1.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8742 2.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8742 3.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1597 3.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5549 3.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3591 -0.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7610 2.3342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5885 3.5717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5294 0.7097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4731 -1.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3873 -1.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7302 -0.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5056 -0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4087 -0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2483 -0.6392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4452 -1.0201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3929 -2.2350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0028 0.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 -2.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1244 1.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6819 0.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4849 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2596 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6966 1.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9942 0.9216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8775 0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7891 0.2378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2361 -0.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9457 -3.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0314 -3.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6886 -2.6514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9132 -1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9314 -1.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2744 -2.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9300 -1.0523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3203 -1.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9989 -2.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5989 -3.5719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -2.7431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5708 1.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7610 0.8737 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 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 1 19 1 0 0 0 0 15 20 1 0 0 0 0 8 21 1 0 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 24 28 1 0 0 0 0 23 29 1 0 0 0 0 26 21 1 0 0 0 0 25 30 1 0 0 0 0 22 31 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 33 38 1 0 0 0 0 34 39 1 0 0 0 0 30 32 1 0 0 0 0 35 40 1 0 0 0 0 42 41 1 1 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 1 0 0 0 46 41 1 1 0 0 0 45 47 1 0 0 0 0 44 48 1 0 0 0 0 46 49 1 0 0 0 0 41 50 1 0 0 0 0 42 51 1 0 0 0 0 51 31 1 0 0 0 0 52 53 1 0 0 0 0 36 52 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 52 53 M SBL 1 1 58 M SMT 1 CH2OH M SBV 1 58 -0.8742 0.0041 S SKP 5 ID FL5FAAGL0029 FORMULA C33H40O20 EXACTMASS 756.21129372 AVERAGEMASS 756.6587 SMILES OC(C(OC(C6O)OC(CO)C(C(O)6)O)1)C(O)C(COC(C(O)5)OC(C)C(O)C(O)5)OC1OC(C(=O)2)=C(c(c4)ccc(O)c4)Oc(c3)c2c(O)cc3O M END
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