Mol:FL5FAAGS0079
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 52 57 0 0 0 0 0 0 0 0999 V2000 1.6611 4.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6611 3.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3756 2.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0899 3.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0899 4.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3756 4.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9467 2.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2322 3.3911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4822 2.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4822 2.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2322 1.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9467 2.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1965 3.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 2.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 2.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1965 1.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2322 1.0231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6255 3.3911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6781 1.6992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6906 4.5629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1965 1.0418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6339 -0.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 -0.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3365 0.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 0.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9199 0.6865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9912 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5537 -0.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2809 -0.9271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7161 -1.5315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2434 -1.2407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0635 0.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2433 -1.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6559 -2.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8624 -2.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0641 -2.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3487 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4449 -1.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0688 -2.9085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3166 -2.7284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1315 -2.2017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8953 -1.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7819 -3.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1944 -4.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4010 -3.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6027 -4.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1899 -3.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9835 -3.5664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5867 -4.6286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9376 -4.4897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6906 -3.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4337 -3.4608 0.0000 C 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 5 20 1 0 0 0 0 16 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 19 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 36 39 1 0 0 0 0 35 40 1 0 0 0 0 34 41 1 0 0 0 0 33 42 1 0 0 0 0 37 29 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 1 0 0 0 46 45 1 1 0 0 0 47 46 1 1 0 0 0 47 48 1 0 0 0 0 48 43 1 0 0 0 0 46 49 1 0 0 0 0 45 50 1 0 0 0 0 44 51 1 0 0 0 0 43 52 1 0 0 0 0 47 40 1 0 0 0 0 S SKP 5 ID FL5FAAGS0079 FORMULA C33H40O19 EXACTMASS 740.216379098 AVERAGEMASS 740.6593 SMILES OC(C(OC(C5=O)=C(Oc(c6)c5c(O)cc6O)c(c4)ccc(O)c4)3)C(C(O)C(O3)COC(C1O)OC(C(O)C(OC(C(O)2)OC(C(O)C2O)C)1)C)O M END