Mol:FL5FAGGS0027
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 39 42 0 0 0 0 0 0 0 0999 V2000 2.2969 0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5823 1.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5823 1.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2969 2.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0113 1.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0113 1.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8678 0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1534 1.0965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 -0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1534 -0.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8678 -0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2756 1.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9899 0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9899 -0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2756 -0.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1534 -1.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7044 1.0965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5823 -0.5535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2756 -1.2445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7257 2.3340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2969 3.1590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6892 0.7051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0958 -1.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3169 -2.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4766 -2.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2749 -2.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6877 -1.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8941 -1.7690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2716 -2.9563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0188 -2.6923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0001 -2.0610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6594 -1.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7257 -1.9491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0417 -2.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0417 -3.1590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 -2.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6565 -2.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6565 -3.0753 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 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 6 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 28 27 1 1 0 0 0 28 29 1 0 0 0 0 29 24 1 0 0 0 0 27 30 1 0 0 0 0 26 31 1 0 0 0 0 25 32 1 0 0 0 0 24 33 1 0 0 0 0 28 19 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 32 38 1 0 0 0 0 S SKP 5 ID FL5FAGGS0027 FORMULA C24H22O15 EXACTMASS 550.095870034 AVERAGEMASS 550.42248 SMILES Oc(c31)cc(cc1OC(c(c4)cc(c(c(O)4)O)O)=C(C3=O)OC(C2O)OC(C)C(C2O)OC(=O)CC(O)=O)O M END