Mol:FL5FCAGS0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 54 59 0 0 0 0 0 0 0 0999 V2000 1.5046 1.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5046 0.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2191 0.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9335 0.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9335 1.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2191 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7901 0.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0757 0.5716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6388 0.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6388 -0.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0757 -1.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7901 -0.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3532 0.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0676 0.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0676 -0.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3532 -1.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0785 -1.8130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4678 -1.1007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5147 1.8557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3532 -1.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3686 4.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9781 3.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5761 3.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8008 2.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1914 3.1052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5934 3.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7255 4.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6130 4.2369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3349 2.3612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5496 -3.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2617 -3.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6214 -2.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3093 -2.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4979 -1.8823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1382 -2.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 -3.6348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3762 -3.6381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5779 -2.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 -3.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8635 -4.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3892 -4.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1656 -3.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1012 -2.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5755 -3.5641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6546 -4.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3786 -4.8454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3366 -4.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3873 -4.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7447 -2.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1556 -3.6507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7821 0.5716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5147 0.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8745 4.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 4.8102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 11 17 2 0 0 0 0 12 18 1 0 0 0 0 5 19 1 0 0 0 0 16 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 19 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 39 40 1 0 0 0 0 40 41 1 1 0 0 0 42 41 1 1 0 0 0 43 42 1 1 0 0 0 43 44 1 0 0 0 0 44 39 1 0 0 0 0 42 45 1 0 0 0 0 41 46 1 0 0 0 0 40 47 1 0 0 0 0 39 48 1 0 0 0 0 43 38 1 0 0 0 0 33 18 1 0 0 0 0 49 50 1 0 0 0 0 35 49 1 0 0 0 0 51 52 1 0 0 0 0 14 51 1 0 0 0 0 53 54 1 0 0 0 0 26 53 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 49 50 M SBL 1 1 55 M SMT 1 ^ CH2OH M SBV 1 55 0.8828 0.1140 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 51 52 M SBL 2 1 57 M SMT 2 ^ OCH3 M SBV 2 57 0.7145 -0.4125 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 53 54 M SBL 3 1 59 M SMT 3 CH2OH M SBV 3 59 -0.2811 -0.7328 S SKP 5 ID FL5FCAGS0011 FORMULA C34H42O20 EXACTMASS 770.226943784 AVERAGEMASS 770.6852799999999 SMILES OC(C(O)6)C(OC(C6O)C)OC(C5O)C(OC(C5O)CO)OC(=C(c(c3)ccc(OC(O4)C(O)C(C(C4CO)O)O)c3)2)C(c(c(O2)1)c(O)cc(c1)OC)=O M END