Mol:FL2F2CNI0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 28 31 0 0 0 0 0 0 0 0999 V2000 -1.7130 0.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6946 -0.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9745 -0.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2724 -0.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2725 0.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9925 0.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 -0.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1566 -0.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1475 0.4184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4419 0.8154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 0.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5689 0.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2820 0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2820 1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5672 2.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8530 1.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 -1.6595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4274 0.7950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1235 -0.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8380 -0.8464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8380 -1.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1235 -2.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5524 -2.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0675 0.5919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5524 1.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0675 1.9279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1461 0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4090 -0.8464 0.0000 O 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 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 6 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 1 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 13 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 14 1 0 0 0 0 18 27 1 0 0 0 0 2 28 1 0 0 0 0 28 19 1 0 0 0 0 S SKP 8 ID FL2F2CNI0001 KNApSAcK_ID C00014167 NAME Ponganone V;7-Methoxy-6-O-prenyl-3',4'-methylenedioxyflavanone CAS_RN 142608-91-1 FORMULA C22H22O6 EXACTMASS 382.141638436 AVERAGEMASS 382.40648000000004 SMILES c(O4)(c3OC4)cc(cc3)C(O1)CC(=O)c(c2)c1cc(c2OCC=C(C)C)OC M END
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