Mol:FL2F1ANI0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 31 0 0 0 0 0 0 0 0999 V2000 -1.8431 -1.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3222 -1.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8013 -1.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8013 -0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3222 -0.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8431 -0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2804 -1.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2405 -1.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2405 -0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2804 -0.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7609 -0.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2804 -2.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2952 -0.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8296 -0.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8296 0.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2952 0.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7609 0.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3639 -0.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3222 0.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8425 0.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8425 0.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3629 1.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3222 1.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3639 0.4016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8296 1.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2952 1.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8296 1.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3619 2.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2973 2.2505 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 3 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 4 1 0 0 0 0 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 11 1 0 0 0 0 6 18 1 0 0 0 0 5 19 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 15 24 1 0 0 0 0 25 26 1 0 0 0 0 26 16 1 0 0 0 0 25 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 S SKP 8 ID FL2F1ANI0008 KNApSAcK_ID C00008459 NAME Glabrol CAS_RN 59870-65-4 FORMULA C25H28O4 EXACTMASS 392.19875938399997 AVERAGEMASS 392.48742 SMILES c(c1)(C(O2)CC(c(c3)c(c(CC=C(C)C)c(c3)O)2)=O)cc(c(c1)O)CC=C(C)C M END