Mol:FL5FAAGL0057
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 64 70 0 0 0 0 0 0 0 0999 V2000 -1.3904 1.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3904 0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 0.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0284 0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0284 1.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 2.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7378 0.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4472 0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4472 1.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7378 2.1828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7378 -0.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1563 2.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8794 1.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6024 2.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6024 3.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8794 3.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1563 3.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0995 2.1827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 0.5188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -0.2743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4108 3.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5511 -0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8079 -0.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0437 -0.9507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8079 -1.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5511 -2.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3153 -1.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6084 0.1157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8227 -1.8909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3317 -2.8380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0004 -2.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3132 0.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8773 -0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6896 0.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4736 0.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9040 0.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1932 0.3439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2467 -0.1987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4453 -0.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9758 0.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8603 2.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3434 1.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5988 1.7824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8228 1.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4024 2.3122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1629 2.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6269 1.9228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1188 1.4678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8821 1.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2573 -3.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5439 -3.4843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2896 -2.5948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5439 -1.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2573 -1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0032 -2.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0421 -0.6811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4599 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6605 -1.6052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0152 -3.1014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3885 -3.1765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7316 2.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9758 2.9080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6230 0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3839 2.1024 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 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 15 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 25 31 1 0 0 0 0 23 19 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 37 1 0 0 0 0 37 32 1 0 0 0 0 33 38 1 0 0 0 0 34 39 1 0 0 0 0 28 32 1 0 0 0 0 35 40 1 0 0 0 0 41 42 1 1 0 0 0 42 43 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 41 1 0 0 0 0 41 47 1 0 0 0 0 42 48 1 0 0 0 0 43 49 1 0 0 0 0 44 18 1 0 0 0 0 51 50 1 1 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 1 0 0 0 55 50 1 1 0 0 0 54 56 1 0 0 0 0 53 57 1 0 0 0 0 55 58 1 0 0 0 0 50 59 1 0 0 0 0 51 60 1 0 0 0 0 60 31 1 0 0 0 0 61 62 1 0 0 0 0 46 61 1 0 0 0 0 63 64 1 0 0 0 0 36 63 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 61 62 M SBL 1 1 68 M SMT 1 ^ CH2OH M SBV 1 68 0.5687 -0.5895 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 63 64 M SBL 2 1 70 M SMT 2 CH2OH M SBV 2 70 -0.7191 -0.1307 S SKP 5 ID FL5FAAGL0057 FORMULA C39H50O25 EXACTMASS 918.26411715 AVERAGEMASS 918.7993 SMILES C(O)C(O1)C(O)C(C(C1OC(C7O)C(OC(C7O)COC(O6)C(C(O)C(C6C)O)O)OC(=C4c(c5)ccc(O)c5)C(c(c(O4)2)c(cc(OC(C(O)3)OC(CO)C(O)C3O)c2)O)=O)O)O M END