Mol:FL63ACGS0018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.3913 -0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3913 -1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6768 -1.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0376 -1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0376 -0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6768 -0.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7521 -1.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4665 -1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4665 -0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7521 -0.0322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -0.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9014 -0.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6218 -0.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6218 0.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9014 1.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 0.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3111 1.1977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1057 -0.0322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -1.6821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6768 -2.5052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6465 0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9220 -0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1520 0.6726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9220 1.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6465 1.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4168 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3480 2.5052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9413 2.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1288 1.4959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3111 0.2027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9014 2.0462 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 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 6 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 17 14 1 0 0 0 0 1 18 1 0 0 0 0 8 19 1 1 0 0 0 3 20 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 15 31 1 0 0 0 0 S SKP 5 ID FL63ACGS0018 FORMULA C21H24O10 EXACTMASS 436.136946988 AVERAGEMASS 436.40926 SMILES c(c4)(cc(c(O)c4)O)C(O3)C(O)Cc(c13)c(cc(OC(O2)C(O)C(O)C(O)C(C)2)c1)O M END