Mol:FL2F1ANN0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 34 0 0 0 0 0 0 0 0999 V2000 -4.3145 0.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3145 -0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 -1.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8856 -0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8856 0.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 0.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1711 -1.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4566 -0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4566 0.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1711 0.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9497 0.4813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1711 -1.7830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7102 0.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7187 0.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7187 1.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 1.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7102 1.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5033 0.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9883 0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5033 1.6254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8020 0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2145 0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0395 0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4520 0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0395 1.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2145 1.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0790 0.9580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6082 0.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6082 0.4287 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 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 1 11 1 0 0 0 0 7 12 2 0 0 0 0 9 13 1 6 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 15 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 16 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 25 28 1 0 0 0 0 11 29 1 0 0 0 0 28 30 1 0 0 0 0 S SKP 8 ID FL2F1ANN0002 KNApSAcK_ID C00014713 NAME Lophirone J;(S)-2,3-Dihydro-7-methoxy-2-[2-(4-methoxyphenyl)-5-benzofuranyl]-4H-1-benzopyran-4-one CAS_RN 155548-32-6 FORMULA C25H20O5 EXACTMASS 400.13107375 AVERAGEMASS 400.4233 SMILES c(c23)c(oc2ccc(C(O5)CC(c(c54)ccc(c4)OC)=O)c3)c(c1)ccc(c1)OC M END