Mol:FL5FACGL0039
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 53 58 0 0 0 0 0 0 0 0999 V2000 -1.8703 0.9885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8703 0.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1693 -0.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4682 0.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4682 0.9885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1693 1.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2328 -0.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9338 0.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9338 0.9885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2328 1.3933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2328 -0.8567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6346 1.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3491 0.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0636 1.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0636 2.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3491 2.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6346 2.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1693 -1.0348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5711 1.3932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7778 2.6305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6602 -0.2106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3624 -1.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5162 -0.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7848 -1.8706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5162 -2.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3624 -3.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 -2.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1632 -0.5358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7240 -2.9386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0871 -4.0608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6946 -1.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6088 -1.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9518 -0.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7271 -0.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4699 -0.6773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3106 -0.1919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1278 -2.1462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7997 -2.2816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7525 -1.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3491 3.4554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1322 1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3406 1.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5918 2.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3406 3.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1322 3.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8812 2.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8046 4.0608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3421 3.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6124 3.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7997 1.6886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4845 -3.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2246 -3.5598 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 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 27 29 1 0 0 0 0 26 30 1 0 0 0 0 23 21 1 0 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 1 0 0 0 36 31 1 1 0 0 0 36 37 1 0 0 0 0 31 38 1 0 0 0 0 32 39 1 0 0 0 0 33 40 1 0 0 0 0 35 28 1 0 0 0 0 16 41 1 0 0 0 0 43 42 1 1 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 1 0 0 0 47 42 1 1 0 0 0 46 48 1 0 0 0 0 45 49 1 0 0 0 0 47 50 1 0 0 0 0 42 51 1 0 0 0 0 43 19 1 0 0 0 0 52 53 1 0 0 0 0 25 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 0.0318 0.7711 S SKP 5 ID FL5FACGL0039 FORMULA C33H40O20 EXACTMASS 756.21129372 AVERAGEMASS 756.6587 SMILES OC(C6O)C(C(OC(CO)6)OC(=C(c(c5)ccc(c(O)5)O)4)C(=O)c(c2O4)c(cc(OC(O3)C(O)C(O)C(C3C)O)c2)O)OC(C(O)1)OC(C(O)C1O)C M END
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