Mol:FLIA1LNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 28 0 0 0 0 0 0 0 0999 V2000 -2.3828 1.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3828 0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8265 0.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2702 0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2702 1.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8265 1.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7139 0.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1576 0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1576 1.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7139 1.8775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3985 0.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3985 -0.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9933 -0.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5881 -0.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5881 0.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9933 0.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7139 -0.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9391 1.8775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9933 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5881 -1.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1829 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1829 -0.4373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3847 -1.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9391 -0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1957 -0.4369 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 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 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 7 17 2 0 0 0 0 18 1 1 0 0 0 0 13 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 14 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 12 25 1 0 0 0 0 S SKP 8 ID FLIA1LNP0001 KNApSAcK_ID C00009434 NAME Glabrone CAS_RN 60008-02-8 FORMULA C20H16O5 EXACTMASS 336.099773622 AVERAGEMASS 336.33804000000003 SMILES c(O)(c4)ccc(c43)C(C(=CO3)c(c2O)ccc(c21)OC(C=C1)(C)C)=O M END