Mol:FL1AAKGM0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 -3.0113 1.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0113 0.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2968 0.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2968 1.9320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5823 0.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5823 1.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8681 1.9335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1517 1.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1527 0.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6237 2.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3877 1.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3987 0.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1188 0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8276 0.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8162 1.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0962 2.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2968 -0.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4772 0.4145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1188 -0.3461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6474 1.8868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5461 2.0242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7610 -0.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4772 -0.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1622 1.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2968 2.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4765 -1.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6197 -2.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9517 -1.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1299 -1.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9865 -1.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6547 -1.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0073 -2.4288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1828 -2.6912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1622 -2.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9956 -1.9386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2692 0.2725 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 5 2 0 0 0 0 6 4 2 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 9 1 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 3 17 1 0 0 0 0 14 18 1 0 0 0 0 13 19 1 0 0 0 0 1 20 1 0 0 0 0 15 21 1 0 0 0 0 19 22 1 0 0 0 0 18 23 1 0 0 0 0 21 24 1 0 0 0 0 4 25 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 1 0 0 0 29 28 1 1 0 0 0 30 29 1 1 0 0 0 30 31 1 0 0 0 0 31 26 1 0 0 0 0 29 32 1 0 0 0 0 28 33 1 0 0 0 0 27 34 1 0 0 0 0 26 35 1 0 0 0 0 30 17 1 0 0 0 0 9 36 2 0 0 0 0 S SKP 5 ID FL1AAKGM0002 FORMULA C25H28O11 EXACTMASS 504.163161738 AVERAGEMASS 504.48322 SMILES C(O)(C(O)4)C(C)OC(C(O)4)Oc(c3)c(c1c(C)c3O)c(c(=Cc(c2)cc(c(OC)c2OC)OC)o1)=O M END