Mol:FL3FAACS0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 38 42 0 0 0 0 0 0 0 0999 V2000 -1.4092 -0.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4092 -1.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6948 -1.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0197 -1.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0197 -0.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6948 -0.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7341 -1.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4486 -1.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4486 -0.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7341 -0.2296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7341 -2.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1234 -0.2297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3796 2.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1574 1.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8275 1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8186 0.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2234 0.9172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6153 1.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1661 2.4325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1574 2.7043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1759 0.5374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6948 -2.7043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2423 -0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9952 -0.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7480 -0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7480 0.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9952 1.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2423 0.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5005 1.1004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8405 -1.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3639 -2.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6774 -1.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0150 -1.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4963 -1.2994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0969 -1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5005 -1.8067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1070 -2.0911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1111 -2.1149 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 1 12 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 1 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 6 16 1 0 0 0 0 3 22 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 23 9 1 0 0 0 0 26 29 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 33 2 1 0 0 0 0 S SKP 5 ID FL3FAACS0011 FORMULA C25H26O13 EXACTMASS 534.137340918 AVERAGEMASS 534.46614 SMILES C(O1)C(C(C(C1c(c4O)c(O2)c(c(c4C(C(O)5)OCC(C5O)O)O)C(C=C(c(c3)ccc(c3)O)2)=O)O)O)O M END