Mol:FL3FE9GS0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.1476 1.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1476 0.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4465 0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2545 0.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2545 1.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4465 2.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9556 0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6567 0.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6567 1.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9556 2.0270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2225 -0.1638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3575 2.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0720 1.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7865 2.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7865 2.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0720 3.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3575 2.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4465 -0.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8644 2.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4457 -1.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9881 -2.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9453 -2.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8962 -2.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3538 -1.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3966 -1.7080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3464 -1.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6143 -2.1009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6896 -2.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8962 -3.2643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2581 1.0179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7865 1.3003 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 3 18 1 0 0 0 0 19 1 1 0 0 0 0 20 21 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 20 1 0 0 0 0 20 26 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 18 1 0 0 0 0 30 31 1 0 0 0 0 2 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 ^ OCH3 M SBV 1 34 1.1105 -0.2052 S SKP 5 ID FL3FE9GS0011 FORMULA C22H22O9 EXACTMASS 430.126382302 AVERAGEMASS 430.40468000000004 SMILES COc(c4O)c(c(c(c4)3)C(=O)C=C(O3)c(c2)cccc2)OC(O1)C(O)C(C(O)C(C)1)O M END