Mol:FL5FA9GS0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 41 45 0 0 0 0 0 0 0 0999 V2000 -3.9520 1.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9520 0.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3957 0.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8394 0.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8394 1.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3957 1.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2831 0.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7268 0.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7268 1.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2831 1.5286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2831 -0.2570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1707 1.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6037 1.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0367 1.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0367 2.1831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6037 2.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1707 2.1831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9962 0.0972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5081 1.5284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3957 -0.3983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0336 -1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8536 -1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 -0.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6618 0.0157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0336 0.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2329 -0.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0032 -0.3190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0336 -1.7257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9155 -1.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0827 -1.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1736 -1.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 -2.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5315 -1.9116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2814 -2.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6692 -1.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9236 -1.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4537 -1.6462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2306 -1.1346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4686 -0.7048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7936 -2.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5081 -2.5105 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 18 8 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 26 21 1 1 0 0 0 26 27 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 25 18 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 31 37 1 0 0 0 0 36 38 1 0 0 0 0 35 39 1 0 0 0 0 29 32 1 0 0 0 0 34 40 1 0 0 0 0 40 41 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 44 M SMT 1 CH2OH M SBV 1 44 -5.8694 8.5766 S SKP 8 ID FL5FA9GS0003 KNApSAcK_ID C00005124 NAME Galangin 3-galactosyl-(1->4)-rhamnoside CAS_RN 73030-72-5 FORMULA C27H30O14 EXACTMASS 578.163555668 AVERAGEMASS 578.5187000000001 SMILES OC(C5O)C(O)C(OC5CO)OC(C(O)1)C(C)OC(OC(=C(c(c4)cccc4)3)C(=O)c(c(O)2)c(O3)cc(O)c2)C(O)1 M END
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