Mol:FL4DAANS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -1.8713 -0.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3505 -0.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8296 -0.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8296 0.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3505 0.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8713 0.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3087 -0.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2122 -0.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2122 0.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3087 0.7479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3087 -0.9790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3505 -1.0559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3781 0.7397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6553 -0.5974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7919 0.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3206 0.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8493 0.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8493 1.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3206 1.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7919 1.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9321 -1.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9321 -1.6623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6333 -0.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3781 1.6623 0.0000 O 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 3 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 4 1 0 0 0 0 7 11 2 0 0 0 0 2 12 1 0 0 0 0 6 13 1 0 0 0 0 8 14 1 1 0 0 0 9 15 1 6 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 14 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 18 24 1 0 0 0 0 S SKP 8 ID FL4DAANS0002 KNApSAcK_ID C00008738 NAME Aromadendrin 3-acetate CAS_RN 62458-55-3 FORMULA C17H14O7 EXACTMASS 330.073952802 AVERAGEMASS 330.28886 SMILES CC(=O)OC(C(=O)2)C(Oc(c3)c(c(O)cc(O)3)2)c(c1)ccc(O)c1 M END