Mol:FL6F1CNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 32 0 0 0 0 0 0 0 0999 V2000 -2.5770 -0.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5770 -1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0207 -1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4644 -1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4644 -0.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0207 -0.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9081 -1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3518 -1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3518 -0.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9081 -0.6650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2043 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7712 -0.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3382 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3382 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7712 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2043 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1331 -0.6651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9052 -0.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4722 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4722 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9052 0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 0.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 0.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9282 1.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9282 1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4938 0.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7712 0.9715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9775 0.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1331 -0.1875 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 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 1 17 1 0 0 0 0 13 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 14 1 0 0 0 0 16 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 15 27 1 0 0 0 0 20 28 1 0 0 0 0 20 29 1 0 0 0 0 S SKP 8 ID FL6F1CNP0001 KNApSAcK_ID C00008787 NAME Kazinol B CAS_RN 99624-27-8 FORMULA C25H28O4 EXACTMASS 392.19875938399997 AVERAGEMASS 392.48742 SMILES c(c1)c(C2)c(OC(c(c(CC=C(C)C)4)cc(c(c(O)4)3)C=CC(O3)(C)C)C2)cc1O M END