Mol:FL5FADGL0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -3.2401 0.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2401 -0.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5257 -0.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8113 -0.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8113 0.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5257 1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0968 -0.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3824 -0.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3824 0.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0968 1.0890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0968 -1.2040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3318 1.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0599 0.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7881 1.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7881 1.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0599 2.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3318 1.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9543 1.0889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1238 -0.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5257 -1.3855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4891 2.3848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6873 -2.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0611 -1.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1763 -2.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0611 -3.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6873 -3.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4499 -2.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5767 -1.2615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9408 -3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3788 -4.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2113 -0.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7794 -1.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5975 -1.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3870 -1.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8134 -0.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0975 -1.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1247 -1.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2753 -1.6944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9543 -0.9324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1024 -3.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3788 -3.8189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0746 3.1298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6415 4.2822 0.0000 C 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 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 15 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 19 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 32 37 1 0 0 0 0 33 38 1 0 0 0 0 28 31 1 0 0 0 0 34 39 1 0 0 0 0 40 41 1 0 0 0 0 25 40 1 0 0 0 0 42 43 1 0 0 0 0 16 42 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 40 41 M SBL 1 1 45 M SMT 1 ^ CH2OH M SBV 1 45 0.0413 0.7044 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 42 43 M SBL 2 1 47 M SMT 2 OCH3 M SBV 2 47 -0.0147 -0.7797 S SKP 5 ID FL5FADGL0003 FORMULA C27H30O16 EXACTMASS 610.153384912 AVERAGEMASS 610.5175 SMILES c(c5O)c(c(C2=O)c(c5)OC(=C2OC(C(OC(C4O)OCC(C4O)O)3)OC(CO)C(C3O)O)c(c1)ccc(c1OC)O)O M END
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