Mol:FL5FACGS0057
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 45 49 0 0 0 0 0 0 0 0999 V2000 -1.6474 1.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6474 0.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9329 0.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2183 0.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2183 1.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9329 1.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4961 0.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2106 0.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2106 1.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4961 1.8939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4961 -0.3993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1101 2.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8383 1.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5665 2.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5665 2.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8383 3.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1101 2.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9329 -0.5808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3458 3.3434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3096 2.0641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0189 0.1896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7701 -2.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4577 -2.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2395 -1.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4577 -0.8938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7701 -0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9881 -1.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7503 -1.2823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8243 -2.7301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3727 -3.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7547 -2.0760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0094 -3.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7057 -3.1682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0016 -4.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7567 2.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0822 1.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2963 2.5165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0822 3.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7567 3.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5428 2.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4901 4.2328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1427 3.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1482 3.3605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3458 2.1473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8383 4.1544 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 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 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 19 15 1 0 0 0 0 4 3 1 0 0 0 0 1 20 1 0 0 0 0 21 8 1 0 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 27 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 26 21 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 1 0 0 0 40 35 1 1 0 0 0 39 41 1 0 0 0 0 38 42 1 0 0 0 0 40 43 1 0 0 0 0 35 44 1 0 0 0 0 36 20 1 0 0 0 0 30 32 1 0 0 0 0 16 45 1 0 0 0 0 S SKP 5 ID FL5FACGS0057 FORMULA C29H32O16 EXACTMASS 636.1690349759999 AVERAGEMASS 636.5547799999999 SMILES OC(C1Oc(c2)cc(O4)c(C(C(=C(c(c5)ccc(c5O)O)4)OC(O3)C(C(O)C(OC(C)=O)C3C)O)=O)c2O)C(C(C(O1)C)O)O M END