Mol:FL63AAGS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -4.0033 -0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0033 -0.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2888 -1.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5744 -0.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5744 -0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2888 0.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8599 -1.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1455 -0.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1455 -0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8599 0.2650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 0.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2894 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0097 0.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0097 1.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2894 1.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 1.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6992 1.4949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7176 0.2650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -1.3850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2888 -2.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6705 1.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3006 1.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0120 1.4935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7278 1.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0977 1.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3863 1.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1413 1.9157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7739 2.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7176 1.8151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4165 1.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3871 0.0171 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 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 6 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 17 14 1 0 0 0 0 1 18 1 0 0 0 0 8 19 1 1 0 0 0 3 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 24 23 1 1 0 0 0 22 17 1 0 0 0 0 30 31 1 0 0 0 0 24 30 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 34 M SMT 1 CH2OH M SBV 1 34 -0.6887 -0.1060 S SKP 5 ID FL63AAGS0008 FORMULA C21H24O10 EXACTMASS 436.136946988 AVERAGEMASS 436.40926 SMILES c(c(O)4)c(c(c(c4)3)CC(C(O3)c(c1)ccc(OC(O2)C(O)C(O)C(O)C2CO)c1)O)O M END