Mol:FL5FABGI0005
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 47 51 0 0 0 0 0 0 0 0999 V2000 -2.7187 0.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7187 -0.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1624 -0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6061 -0.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6061 0.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1624 0.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0498 -0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4935 -0.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4935 0.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0498 0.8977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0498 -0.8879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0626 0.8976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6296 0.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1966 0.8976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1966 1.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6296 1.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0626 1.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2748 0.8976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0993 -0.4547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1624 -1.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1624 1.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7185 1.8609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7185 2.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1624 2.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2746 2.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7513 -1.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2867 -1.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1168 -1.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2867 -0.5307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7513 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9211 -0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5777 -0.8160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8888 -1.9273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1575 -2.2053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6454 -1.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3807 -2.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9161 -2.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7462 -1.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9161 -1.1495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3807 -0.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5505 -1.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2070 -1.4348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 -2.5461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7869 -2.8241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2748 -2.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7634 1.8795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4779 1.4670 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 8 19 1 0 0 0 0 3 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 1 0 0 0 31 26 1 1 0 0 0 31 32 1 0 0 0 0 26 33 1 0 0 0 0 27 34 1 0 0 0 0 28 35 1 0 0 0 0 30 19 1 0 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 1 0 0 0 41 36 1 1 0 0 0 41 42 1 0 0 0 0 36 43 1 0 0 0 0 37 44 1 0 0 0 0 38 45 1 0 0 0 0 40 32 1 0 0 0 0 15 46 1 0 0 0 0 46 47 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 46 47 M SBL 1 1 50 M SMT 1 OCH3 M SBV 1 50 -6.7677 4.7607 S SKP 8 ID FL5FABGI0005 KNApSAcK_ID C00005822 NAME Anhydroicaritin 3-rhamnosyl-(1->2)-rhamnoside CAS_RN 135293-13-9 FORMULA C33H40O14 EXACTMASS 660.241805988 AVERAGEMASS 660.6623 SMILES c(c1OC)cc(C(=C(OC(O4)C(OC(C(O)5)OC(C(O)C5O)C)C(C(O)C4C)O)2)Oc(c3CC=C(C)C)c(c(O)cc3O)C(=O)2)cc1 M END
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