Mol:FL2FALNP0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 41 0 0 0 0 0 0 0 0999 V2000 -1.6376 -0.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6376 -1.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0813 -1.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 -1.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 -0.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0813 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0313 -1.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5876 -1.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5876 -0.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0313 -0.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1437 -0.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7106 -0.6733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2776 -0.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2776 0.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7106 0.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1437 0.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0313 -2.1743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0813 -2.2726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8444 0.6360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8446 1.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2776 1.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7106 1.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3280 1.7743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3692 0.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1939 -0.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7502 -0.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7502 -1.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1939 -1.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3692 -0.8328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2680 -0.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0813 0.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7031 0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7031 1.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3247 1.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0815 1.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2776 2.2726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7106 -1.3278 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 3 4 1 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 15 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 1 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 2 1 0 0 0 0 26 29 1 0 0 0 0 26 30 1 0 0 0 0 6 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 21 36 1 0 0 0 0 12 37 1 0 0 0 0 S SKP 8 ID FL2FALNP0008 KNApSAcK_ID C00008370 NAME Flemichin E CAS_RN 72782-82-2 FORMULA C30H34O7 EXACTMASS 506.230453442 AVERAGEMASS 506.58676 SMILES CC(C)(C5O)Oc(c4)c(C5)cc(c4O)C(O1)CC(=O)c(c3O)c1c(CC=C(C)C)c(c32)OC(C=C2)(C)C M END