Mol:FLIAAANP0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 28 0 0 0 0 0 0 0 0999 V2000 -1.7270 0.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7270 -0.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1707 -0.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6144 -0.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6144 0.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1707 0.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0581 -0.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4982 -0.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4982 0.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0581 0.5780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0543 -0.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0543 -1.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6491 -1.7368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2439 -1.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2439 -0.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6491 -0.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0581 -1.3489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1707 -1.3489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8381 -1.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1707 1.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7270 1.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 1.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 0.5780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5814 1.7368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8381 1.0717 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 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 3 18 1 0 0 0 0 14 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 1 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 S SKP 8 ID FLIAAANP0003 KNApSAcK_ID C00009493 NAME Derrone CAS_RN 76166-59-1 FORMULA C20H16O5 EXACTMASS 336.099773622 AVERAGEMASS 336.33804000000003 SMILES c(c14)(OC=C(C4=O)c(c3)ccc(O)c3)c(C=2)c(OC(C2)(C)C)cc1O M END