Mol:FL7AAIGL0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 46 50 0 0 0 0 0 0 0 0999 V2000 -3.4698 0.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4698 -0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7554 -0.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0409 -0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0409 0.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7554 0.9973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3265 -0.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 -0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 0.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3265 0.9973 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.1022 0.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8304 0.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5586 0.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5586 1.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8304 2.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1022 1.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1840 0.9972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2049 2.1873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7554 -1.4773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1739 -0.7076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 -1.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1142 -1.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0543 -2.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1701 -3.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 -3.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3127 -2.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -1.2084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9977 -3.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4382 -4.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7370 -2.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2529 -3.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9959 -3.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7127 -3.3227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1919 -2.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5419 -3.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5738 -3.6185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7116 -3.7989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1840 -3.1446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2779 -3.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5619 -3.9454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1978 0.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4821 0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8987 -2.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6580 -1.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8259 2.9132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3926 4.0656 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 22 20 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 35 1 0 0 0 0 35 30 1 0 0 0 0 31 36 1 0 0 0 0 32 37 1 0 0 0 0 33 38 1 0 0 0 0 30 28 1 0 0 0 0 39 40 1 0 0 0 0 24 39 1 0 0 0 0 41 42 1 0 0 0 0 13 41 1 0 0 0 0 43 44 1 0 0 0 0 34 43 1 0 0 0 0 45 46 1 0 0 0 0 15 45 1 0 0 0 0 M CHG 1 10 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 39 40 M SBL 1 1 44 M SMT 1 ^ CH2OH M SBV 1 44 0.1078 0.8726 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 41 42 M SBL 2 1 46 M SMT 2 OCH3 M SBV 2 46 -0.6392 0.3960 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 43 44 M SBL 3 1 48 M SMT 3 CH2OH M SBV 3 48 -0.7068 -0.0527 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 45 46 M SBL 4 1 50 M SMT 4 OCH3 M SBV 4 50 0.0045 -0.6548 S SKP 5 ID FL7AAIGL0003 FORMULA C29H35O17 EXACTMASS 655.187424694 AVERAGEMASS 655.578 SMILES C(C4OC(C5O)OC(C(C(O)5)O)CO)(O)C(OC(C4O)Oc(c2)c(c(c3)cc(OC)c(c(OC)3)O)[o+1]c(c21)cc(O)cc1O)CO M END
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