Mol:FL5FAAGS0028
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -0.3661 0.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3661 0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1902 -0.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7465 0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7465 0.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1902 1.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3028 -0.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8591 0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8591 0.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3028 1.2582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3028 -0.5273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4152 1.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9822 0.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5492 1.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5492 1.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9822 2.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4152 1.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1902 -0.6686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9222 1.2581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1160 2.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5279 -0.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5549 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0930 0.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4280 0.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2526 1.1974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8344 0.8903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1943 0.7059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8130 0.4304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0469 0.0843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1451 -1.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7734 -1.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5740 -0.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7734 -0.2752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1451 0.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3444 -0.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1148 -0.6100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3065 -1.9140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6218 -2.2401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1943 -1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9203 1.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7172 1.5023 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 15 20 1 0 0 0 0 8 21 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 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 19 1 0 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 1 0 0 0 36 31 1 1 0 0 0 36 37 1 0 0 0 0 31 38 1 0 0 0 0 32 39 1 0 0 0 0 33 40 1 0 0 0 0 35 21 1 0 0 0 0 27 41 1 0 0 0 0 41 42 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 41 42 M SBL 1 1 45 M SMT 1 ^CH2OH M SBV 1 45 -6.4704 4.3261 S SKP 8 ID FL5FAAGS0028 KNApSAcK_ID C00005188 NAME Kaempferol 3-rhamnoside-7-glucoside CAS_RN 64323-49-5 FORMULA C27H30O15 EXACTMASS 594.15847029 AVERAGEMASS 594.5181 SMILES C(C(O)5)(OC(CO)C(O)C5O)Oc(c4)cc(c(c42)C(=O)C(=C(c(c3)ccc(c3)O)O2)OC(C(O)1)OC(C)C(C1O)O)O M END
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