Mol:FL5FAANI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -0.0250 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5313 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0876 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0876 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5313 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6439 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2002 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2002 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6439 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6439 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7563 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3233 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8903 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8903 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3233 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7563 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5819 0.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 -0.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5811 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6909 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6909 -1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5313 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4571 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7995 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3520 -0.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9046 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9046 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4571 -0.4924 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 18 1 1 0 0 0 0 8 19 1 0 0 0 0 2 20 1 0 0 0 0 20 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 3 25 1 0 0 0 0 15 26 1 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 S SKP 8 ID FL5FAANI0003 KNApSAcK_ID C00004995 NAME Macarangin;(E)-6-(3,7-dimethyl-2,6-octadienyl)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-Benzopyran-4-one;6-[(2E)-3,7-Dimethyl-2,6-octadienyl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one CAS_RN 129385-65-5 FORMULA C25H26O6 EXACTMASS 422.172938564 AVERAGEMASS 422.47033999999996 SMILES c(c3)c(ccc3O)C(=C(O)2)Oc(c(C2=O)1)cc(c(CC=C(C)CCC=C(C)C)c1O)O M END