Mol:FL5FACGS0015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -1.3708 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6564 -1.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0581 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0581 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6564 -0.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7726 -1.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7726 -0.1278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7739 -2.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2012 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9294 -0.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6576 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6576 0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9294 1.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2012 0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 -0.1280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6564 -2.6026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3222 1.1232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2012 -1.7777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9294 1.9738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6627 0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8559 -0.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1118 0.5983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8559 1.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6627 1.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4067 1.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3734 2.6026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8957 2.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0486 1.5515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3222 0.1493 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 3 19 1 0 0 0 0 20 15 1 0 0 0 0 8 21 1 0 0 0 0 16 22 1 0 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 1 0 0 0 28 23 1 1 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 28 31 1 0 0 0 0 23 32 1 0 0 0 0 24 18 1 0 0 0 0 S SKP 5 ID FL5FACGS0015 FORMULA C21H20O11 EXACTMASS 448.100561482 AVERAGEMASS 448.3769 SMILES C(O1)(Oc(c4)cc(c2c4O)OC(c(c3)cc(c(O)c3)O)=C(C(=O)2)O)C(O)C(O)C(O)C(C)1 M END