Mol:FL2FAANI0024
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -2.4974 -1.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4788 -1.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7017 -2.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0468 -1.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0327 -1.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7583 -0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2919 -2.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3819 -1.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3727 -1.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3112 -0.6449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0872 -0.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7782 -1.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4896 -0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5101 0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7983 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0779 0.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2919 -3.0372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2119 -0.6695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2119 0.6263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7017 -2.9871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7983 1.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 1.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5226 1.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 2.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4503 2.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 2.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9059 2.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5755 2.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5755 1.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3451 3.0372 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 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 7 17 2 0 0 0 0 1 18 1 0 0 0 0 14 19 1 0 0 0 0 3 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 S SKP 8 ID FL2FAANI0024 KNApSAcK_ID C00014186 NAME Macarangaflavanone A;5,7,4'-Trihydroxy-3'-geranylflavanone CAS_RN 171370-48-2 FORMULA C25H28O5 EXACTMASS 408.193674006 AVERAGEMASS 408.48682 SMILES c(c3)(cc(C=C(C)CCCC=C(C)C)c(c3)O)C(C2)Oc(c(C(=O)2)1)cc(cc1O)O M END