Mol:FL3FAANP0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -1.1034 -0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1034 -0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5471 -0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0092 -0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0092 -0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5471 0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5655 -0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1218 -0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1218 -0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5655 0.3030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5655 -1.4826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6779 0.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2449 -0.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8119 0.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8119 0.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2449 1.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6779 0.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5471 -1.6239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6595 -0.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2156 -0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7705 -0.9810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3254 -0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7705 -1.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3254 1.1922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5471 0.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1034 1.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6597 0.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6597 0.3030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0515 1.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2837 0.9453 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 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 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 12 1 0 0 0 0 3 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 24 15 1 0 0 0 0 6 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 1 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 S SKP 8 ID FL3FAANP0004 KNApSAcK_ID C00004093 NAME Laxifolin;5-Hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-6-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one CAS_RN 144049-81-0 FORMULA C25H24O5 EXACTMASS 404.162373878 AVERAGEMASS 404.45506 SMILES c(c13)(C(=O)C=C(c(c4)ccc(c4)O)O3)c(c(CC=C(C)C)c(O2)c(C=CC2(C)C)1)O M END