Mol:FL1C1ANI0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 30 0 0 0 0 0 0 0 0999 V2000 1.1774 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1774 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7337 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7337 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0796 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4767 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6357 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1966 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6357 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1966 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7493 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3019 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3019 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7493 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8463 0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7493 -0.9486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8544 0.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8461 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4010 -0.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9547 -0.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5084 -0.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9547 -0.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8544 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4058 0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9571 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5084 0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9571 -0.9470 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 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 17 5 1 0 0 0 0 18 16 1 0 0 0 0 14 19 1 0 0 0 0 4 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 15 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 S SKP 8 ID FL1C1ANI0011 KNApSAcK_ID C00007072 NAME Kanzonol C CAS_RN 151135-82-9 FORMULA C25H28O4 EXACTMASS 392.19875938399997 AVERAGEMASS 392.48742 SMILES C(=Cc(c2)cc(c(O)c2)CC=C(C)C)C(=O)c(c(O)1)ccc(O)c(CC=C(C)C)1 M END