Mol:FL4DAAGS0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -1.4705 0.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7561 0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0416 0.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0416 1.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7561 1.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4705 1.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6728 0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3872 0.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3872 1.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6728 1.6990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6728 -0.6695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1823 1.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9075 1.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6326 1.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6326 2.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9075 2.9532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1823 2.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2017 1.7088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0294 -0.3294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3577 2.9532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7561 -0.7751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3111 -0.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8392 -1.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1596 -1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5039 -1.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9803 -0.6264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6746 -0.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0404 -1.0503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5309 -1.4054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5818 -1.5397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6204 -1.7301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3547 -2.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1217 -1.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3547 -0.5185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6204 -0.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8533 -0.9098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7727 -0.9565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6176 -2.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0831 -2.9532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7037 -1.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4454 -0.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7727 -0.0055 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 3 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 4 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 6 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 6 18 1 0 0 0 0 8 19 1 1 0 0 0 15 20 1 0 0 0 0 2 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 21 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 19 1 0 0 0 0 41 42 1 0 0 0 0 27 41 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 46 M SMT 1 ^ CH2OH M SBV 1 46 0.7708 -0.5243 S SKP 5 ID FL4DAAGS0010 FORMULA C27H32O15 EXACTMASS 596.174120354 AVERAGEMASS 596.5339799999999 SMILES O=C(C1OC(C(O)5)OC(C)C(C5O)O)c(c3OC(O4)C(C(O)C(C4CO)O)O)c(cc(O)c3)OC1c(c2)ccc(c2)O M END