Mol:FL5FACGA0014
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -2.3153 -0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3153 -1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6007 -1.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8862 -1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8862 -0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6007 0.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1716 -1.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5429 -1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5429 -0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1716 0.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1716 -2.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4425 0.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 -0.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8990 0.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8990 1.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 1.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4425 1.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6007 -2.3678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6784 1.5567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2663 -1.6565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9831 0.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 2.3678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2576 -1.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8712 -1.7630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6142 -1.5507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3616 -1.7630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7481 -1.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0051 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 -1.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3537 -0.9220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7082 -0.4277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4337 0.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7592 -0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9731 0.5882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7592 1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4337 1.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2197 0.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1257 2.2840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7592 1.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8045 1.3910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0022 0.2190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0845 -1.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0022 -2.0581 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 1 21 1 0 0 0 0 16 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 23 29 1 0 0 0 0 28 30 1 0 0 0 0 27 31 1 0 0 0 0 24 20 1 0 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 1 0 0 0 37 32 1 1 0 0 0 36 38 1 0 0 0 0 35 39 1 0 0 0 0 37 40 1 0 0 0 0 32 41 1 0 0 0 0 33 21 1 0 0 0 0 42 43 1 0 0 0 0 26 42 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 42 43 M SBL 1 1 47 M SMT 1 CH2OH M SBV 1 47 -0.7229 -0.2347 S SKP 5 ID FL5FACGA0014 FORMULA C27H30O16 EXACTMASS 610.153384912 AVERAGEMASS 610.5175 SMILES O=C(c21)C(OC(C(O)5)OC(C(C(O)5)O)CO)=C(c(c4)ccc(O)c4O)Oc1cc(OC(C(O)3)OC(C)C(O)C3O)cc2O M END
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