Mol:FL5FDAGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -1.3870 -0.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6725 -1.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0419 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0419 -0.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6725 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7564 -1.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4708 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4708 -0.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7564 0.1134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7578 -2.3882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6414 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6414 0.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 1.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 0.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1012 0.1132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6725 -2.3612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3645 1.3715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6431 0.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8363 -0.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0922 0.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8363 1.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6431 2.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3871 1.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2671 2.7521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8363 2.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0909 1.7280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3645 0.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2844 -1.5938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8392 -2.7521 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 3 19 1 0 0 0 0 20 15 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 26 21 1 1 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 26 29 1 0 0 0 0 21 30 1 0 0 0 0 22 18 1 0 0 0 0 31 32 1 0 0 0 0 8 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 35 M SMT 1 OCH3 M SBV 1 35 -0.8135 0.4697 S SKP 5 ID FL5FDAGS0002 FORMULA C22H22O10 EXACTMASS 446.121296924 AVERAGEMASS 446.40408 SMILES Oc(c3)c(C2=O)c(cc3OC(C4O)OC(C(O)C4O)C)OC(=C2OC)c(c1)ccc(c1)O M END