Mol:FL5FACGA0019
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 54 59 0 0 0 0 0 0 0 0999 V2000 -2.9234 1.5915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9234 0.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2224 0.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5214 0.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5214 1.5915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2224 1.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8203 0.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1193 0.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1193 1.5915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8203 1.9963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8203 -0.2538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7634 2.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4779 1.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1924 2.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1924 2.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4779 3.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7634 2.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2224 -0.4319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9571 3.4186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6318 0.2866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4779 4.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7608 2.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6012 -1.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5153 -1.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8582 -0.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6337 0.4429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7194 0.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3765 -0.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2391 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0755 -1.6410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6458 -1.7778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7608 -0.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2528 -0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4067 -0.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6751 -1.2891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4067 -2.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2727 -2.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9844 -1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1953 -0.1785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4566 -2.0987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9276 -2.3964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5112 -2.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0005 -3.3243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5932 -3.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 -4.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3581 -3.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6547 -3.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1658 -3.2611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8036 -3.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1895 -3.6362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7097 -4.0413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7534 -4.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3970 -3.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4012 -2.7867 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 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 19 15 1 0 0 0 0 20 8 1 0 0 0 0 4 3 1 0 0 0 0 16 21 1 0 0 0 0 1 22 1 0 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 1 0 0 0 28 23 1 1 0 0 0 28 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 35 36 1 1 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 33 39 1 0 0 0 0 38 40 1 0 0 0 0 37 41 1 0 0 0 0 36 42 1 0 0 0 0 34 20 1 0 0 0 0 27 39 1 0 0 0 0 43 42 1 0 0 0 0 44 45 1 1 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 44 1 0 0 0 0 44 50 1 0 0 0 0 45 51 1 0 0 0 0 46 52 1 0 0 0 0 47 43 1 0 0 0 0 53 54 1 0 0 0 0 49 53 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 53 54 M SBL 1 1 59 M SMT 1 ^CH2OH M SBV 1 59 0.5934 -0.5419 S SKP 5 ID FL5FACGA0019 FORMULA C33H40O21 EXACTMASS 772.206208342 AVERAGEMASS 772.6581 SMILES O(C(CO)6)C(C(O)C(C(O)6)O)OCC(C(O)4)OC(C(OC(O5)C(C(O)C(C5C)O)O)C4O)OC(=C2c(c3)cc(c(c3)O)O)C(=O)c(c(O2)1)c(cc(O)c1)O M END
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