Mol:FL4DRNNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 36 0 0 0 0 0 0 0 0999 V2000 -1.6525 -0.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1316 -0.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6107 -0.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6107 0.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1316 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6525 0.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0898 -0.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 -0.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 0.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0898 0.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0898 -0.8435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9514 -0.3193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1316 -0.9205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1729 0.8830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3566 0.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0031 0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9548 0.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1994 0.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8459 1.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2477 1.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7970 0.9570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 -0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9771 -1.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9771 -1.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4534 -1.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5008 -1.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4939 1.1802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1316 1.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6525 1.7855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1729 1.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6530 1.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7970 1.3175 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 8 12 1 0 0 0 0 2 13 1 0 0 0 0 6 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 2 0 0 0 0 16 9 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 16 1 0 0 0 0 18 21 1 0 0 0 0 8 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 9 27 1 0 0 0 0 5 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 14 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 S SKP 8 ID FL4DRNNP0001 KNApSAcK_ID C00008629 NAME Sanggenon M CAS_RN 92280-11-0 FORMULA C25H24O7 EXACTMASS 436.152203122 AVERAGEMASS 436.45385999999996 SMILES c(c(O)2)c(c1c(O5)c2C(=O)C(C(O)53)(CC=C(C)C)Oc(c4)c(ccc4O)3)OC(C)(C)C=C1 M END