Mol:FL1C1ANN0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -0.4417 0.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4417 0.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1146 -0.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6709 0.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6709 0.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1146 1.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5749 0.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0186 -0.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1310 -0.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6919 0.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1310 -0.7932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6919 0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2446 1.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7972 0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7972 0.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2446 -0.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2446 -0.7759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3498 1.1383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2818 -0.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6594 0.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2818 0.9889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3015 0.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6431 -0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3262 -0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6678 0.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3262 1.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6431 1.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3498 0.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4803 -0.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0506 -1.1384 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 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 8 1 0 0 0 0 10 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 10 1 0 0 0 0 16 17 1 0 0 0 0 14 18 1 0 0 0 0 4 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 5 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 19 29 1 0 0 0 0 29 30 2 0 0 0 0 S SKP 8 ID FL1C1ANN0001 KNApSAcK_ID C00007165 NAME Lophirone D CAS_RN 122127-70-2 FORMULA C24H16O6 EXACTMASS 400.094688244 AVERAGEMASS 400.38024 SMILES c(c2)c(cc(c(C=O)3)c2oc3c(c4)ccc(c4)O)C=CC(=O)c(c1O)ccc(c1)O M END