Mol:FL5FACGA0020
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 53 58 0 0 0 0 0 0 0 0999 V2000 -2.8040 1.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8040 0.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 0.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 1.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 1.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 1.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 -0.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8828 1.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5973 1.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3118 1.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3118 2.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5973 3.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8828 2.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 -0.6629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0764 3.1874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7099 0.0349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5973 3.9832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6414 1.8439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5761 -1.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4902 -1.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8332 -0.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6087 0.3561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6944 0.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3515 -0.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1921 0.2059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0711 -1.6660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6414 -1.7613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4451 -0.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3721 -1.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5261 -0.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7945 -1.4995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5261 -2.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 -2.8211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1037 -1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2176 -0.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6301 -2.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1457 -2.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 -3.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4887 -3.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9566 -3.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2731 -3.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4899 -3.2243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2731 -2.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9566 -2.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7398 -2.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6265 -1.4879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3357 -1.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3497 -2.2403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6530 -3.5466 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 20 8 1 0 0 0 0 4 3 1 0 0 0 0 16 21 1 0 0 0 0 1 22 1 0 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 1 0 0 0 28 23 1 1 0 0 0 28 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 35 36 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 33 39 1 0 0 0 0 38 40 1 0 0 0 0 37 41 1 0 0 0 0 36 42 1 0 0 0 0 34 20 1 0 0 0 0 27 39 1 0 0 0 0 43 42 1 0 0 0 0 45 44 1 1 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 1 0 0 0 49 44 1 1 0 0 0 48 50 1 0 0 0 0 47 51 1 0 0 0 0 49 52 1 0 0 0 0 44 53 1 0 0 0 0 45 43 1 0 0 0 0 S SKP 5 ID FL5FACGA0020 FORMULA C33H40O20 EXACTMASS 756.21129372 AVERAGEMASS 756.6587 SMILES OC(C6O)C(C(OC6C)OC(C(OC(=C4c(c5)cc(c(c5)O)O)C(=O)c(c(O4)3)c(cc(O)c3)O)1)C(O)C(C(COC(C(O)2)OC(C)C(O)C(O)2)O1)O)O M END