Mol:FL4DAAGS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.9023 0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3814 0.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8605 0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8605 0.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3814 1.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9023 0.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3396 0.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1813 0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1813 0.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3396 1.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3396 -0.5074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2897 0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8184 1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8184 1.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2897 2.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 1.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4355 1.2265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6495 -0.2595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3471 2.1339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3814 -0.5844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5413 -1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0767 -1.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9069 -1.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0767 -0.4593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5413 -0.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7112 -0.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3677 -0.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6789 -1.8559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9476 -2.1339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4355 -1.3625 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 3 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 4 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 6 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 6 18 1 0 0 0 0 8 19 1 6 0 0 0 15 20 1 0 0 0 0 2 21 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 19 1 0 0 0 0 S SKP 8 ID FL4DAAGS0005 KNApSAcK_ID C00008673 NAME Isoengeletin CAS_RN 30987-58-7 FORMULA C21H22O10 EXACTMASS 434.121296924 AVERAGEMASS 434.39338 SMILES C(C(=O)3)(C(Oc(c4)c3c(cc(O)4)O)c(c2)ccc(O)c2)OC(O1)C(O)C(O)C(O)C(C)1 M END