Mol:FL3FALNI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -2.0069 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0069 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4506 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8943 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8943 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4506 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2183 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2183 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7744 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3413 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9083 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9083 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3413 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7744 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5630 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4218 1.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8983 -0.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4544 -0.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0093 -0.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5630 -0.3186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0093 -1.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4506 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2076 1.4543 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 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 1 18 1 0 0 0 0 19 15 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 17 26 1 0 0 0 0 8 20 1 0 0 0 0 S SKP 8 ID FL3FALNI0002 KNApSAcK_ID C00004024 NAME Albanin A CAS_RN 73343-42-7 FORMULA C20H18O6 EXACTMASS 354.110338308 AVERAGEMASS 354.35332 SMILES c(c(O)1)c(O)ccc1C(O3)=C(CC=C(C)C)C(=O)c(c32)c(cc(O)c2)O M END