Mol:FL2FAANP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -1.1306 0.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1306 -0.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5743 -0.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -0.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 0.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5743 0.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5383 -0.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0946 -0.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0946 0.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5383 0.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6507 0.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2177 0.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7846 0.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7846 1.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2177 1.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6507 1.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5383 -1.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3514 1.3296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6867 -0.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2416 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7965 -0.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7965 -1.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3514 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5743 0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1306 1.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6869 0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6869 0.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0269 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2959 0.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5743 -1.5790 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 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 14 18 1 0 0 0 0 2 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 6 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 1 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 3 30 1 0 0 0 0 S SKP 8 ID FL2FAANP0001 KNApSAcK_ID C00008249 NAME Cajaflavanone CAS_RN 68236-12-4 FORMULA C25H26O5 EXACTMASS 406.178023942 AVERAGEMASS 406.47094 SMILES c(c13)(C(=O)CC(c(c4)ccc(c4)O)O3)c(c(CC=C(C)C)c(O2)c(C=CC2(C)C)1)O M END