Mol:FL3FABGS0012
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 67 73 0 0 0 0 0 0 0 0999 V2000 0.1196 0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1195 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8077 -1.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4959 -0.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4958 0.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8077 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1838 -1.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8720 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8720 0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1839 0.4166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1937 -1.8506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5599 0.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2611 0.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9624 0.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9624 1.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2611 1.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5599 1.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5683 0.4165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8171 -1.8073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8367 0.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1813 -0.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2374 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3266 0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9883 0.6720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8142 0.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4388 0.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4890 0.1344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8789 -0.3950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4644 -0.6325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6873 2.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8302 1.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0136 2.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1363 2.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9471 3.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6319 2.3835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4283 1.6313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5032 1.5072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0468 2.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3554 2.9468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8088 -3.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0102 -3.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2635 -2.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0102 -1.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8088 -1.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5555 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0102 -1.2679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8072 -3.7630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6108 -4.0091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4813 -4.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8625 -3.3487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9106 -4.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2984 -4.4838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6542 -3.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0804 0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2818 -0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5352 0.7279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2818 1.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0804 2.0811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8270 1.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3032 2.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5208 1.6850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7535 0.2582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8861 2.8064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2144 3.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0243 4.6630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6635 1.6312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7535 1.0020 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 19 3 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 25 26 1 0 0 0 0 20 27 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 23 18 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 30 36 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 36 26 1 0 0 0 0 33 39 1 0 0 0 0 41 40 1 1 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 1 0 0 0 45 40 1 1 0 0 0 43 46 1 0 0 0 0 44 29 1 0 0 0 0 40 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 49 51 1 0 0 0 0 41 52 1 0 0 0 0 42 53 1 0 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 1 0 0 0 59 54 1 1 0 0 0 57 60 1 0 0 0 0 59 61 1 0 0 0 0 54 62 1 0 0 0 0 55 27 1 0 0 0 0 58 63 1 0 0 0 0 64 65 1 0 0 0 0 34 64 1 0 0 0 0 66 67 1 0 0 0 0 15 66 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 64 65 M SBL 1 1 71 M SMT 1 CH2OH M SBV 1 71 -0.7327 -0.3960 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 66 67 M SBL 2 1 73 M SMT 2 OCH3 M SBV 2 73 -0.7011 -0.4047 S SKP 5 ID FL3FABGS0012 FORMULA C42H54O25 EXACTMASS 958.2954172780001 AVERAGEMASS 958.86316 SMILES c(O6)(c(C(C=C6c(c7)ccc(c7)OC)=O)5)cc(cc(O)5)OC(O1)C(OC(C4O)OC(COC(C)=O)C(O)C4O)C(C(OC(C(O)3)OC(C(C(O)3)O)C)C1COC(C2O)OC(C(O)C2O)CO)O M END
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