Mol:FLIA1LNP0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 35 0 0 0 0 0 0 0 0999 V2000 -1.8301 1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8301 0.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2737 0.4589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7174 0.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7174 1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2737 1.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1611 0.4589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3952 0.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3952 1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1611 1.7436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9513 0.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9513 -0.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 -0.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1408 -0.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1408 0.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 0.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1611 -0.1832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3861 0.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3864 1.7436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9427 1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9427 0.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5737 1.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2978 2.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 -1.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1408 -1.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7356 -1.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7356 -0.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5737 -1.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9445 -2.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2368 -0.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9513 -0.5708 0.0000 C 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 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 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 2 18 1 0 0 0 0 1 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 18 2 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 13 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 14 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 12 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 34 M SMT 1 ^OCH3 M SBV 1 34 -6.4591 3.9050 S SKP 8 ID FLIA1LNP0005 KNApSAcK_ID C00009447 NAME Munetone CAS_RN 5772-07-6 FORMULA C26H24O5 EXACTMASS 416.162373878 AVERAGEMASS 416.46576 SMILES O(c13)C=C(c(c4OC)ccc(O5)c4C=CC5(C)C)C(c1cc(c(c3)2)C=CC(C)(C)O2)=O M END