Mol:FL5FAAGL0045
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 53 58 0 0 0 0 0 0 0 0999 V2000 -1.4996 1.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4996 0.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7851 -0.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0707 0.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0707 1.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7851 1.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6438 -0.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3582 0.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3582 1.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6438 1.6283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6438 -0.6647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0723 1.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 1.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5285 1.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5285 2.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 2.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0723 2.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2137 1.6282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2564 2.8893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1132 -0.0480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7851 -0.8462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9131 -1.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4820 -2.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3111 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1451 -2.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5763 -1.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7472 -1.6521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1124 -1.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3140 0.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8829 -0.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7120 0.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5460 -0.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9772 0.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1481 0.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5133 0.3382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6764 0.9677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5954 0.4483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2195 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4820 -0.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9443 -2.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7925 -2.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1451 -2.8894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9154 1.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3947 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6449 1.1790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8635 1.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4472 1.7128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2131 1.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5954 1.2736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1432 0.9497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 0.7041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9025 1.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9849 1.4648 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 1 18 1 0 0 0 0 15 19 1 0 0 0 0 8 20 1 0 0 0 0 3 21 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 29 30 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 29 1 0 0 0 0 29 35 1 0 0 0 0 34 36 1 0 0 0 0 33 37 1 0 0 0 0 32 38 1 0 0 0 0 26 39 1 0 0 0 0 38 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 30 20 1 0 0 0 0 43 44 1 1 0 0 0 44 45 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 43 1 0 0 0 0 43 49 1 0 0 0 0 44 50 1 0 0 0 0 45 51 1 0 0 0 0 46 18 1 0 0 0 0 52 53 1 0 0 0 0 48 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 0.6894 -0.5569 S SKP 5 ID FL5FAAGL0045 FORMULA C33H40O20 EXACTMASS 756.21129372 AVERAGEMASS 756.6587 SMILES C(=C(c(c6)ccc(c6)O)1)(OC(O4)C(O)C(C(C4COC(O5)C(C(C(O)C5C)O)O)O)O)C(c(c3O)c(cc(c3)OC(C(O)2)OC(CO)C(O)C2O)O1)=O M END
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