Mol:FL2FAANF0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 32 0 0 0 0 0 0 0 0999 V2000 -1.0827 -1.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0685 -0.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3278 -1.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3460 -1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3368 -0.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3471 -0.2766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0513 -0.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3278 -2.6688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7658 -0.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4802 -0.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4802 0.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7658 0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0513 0.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7758 -0.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7758 -1.9018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7758 -2.6044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1008 0.9360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4972 -1.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4972 -0.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9334 0.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7523 0.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1008 -0.0897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4371 1.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7597 1.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5785 2.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0749 1.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9205 2.6688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2633 2.4724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 5 7 1 6 0 0 0 3 8 2 0 0 0 0 7 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 7 1 0 0 0 0 2 14 1 0 0 0 0 14 19 2 0 0 0 0 18 15 2 0 0 0 0 15 1 1 0 0 0 0 15 16 1 0 0 0 0 11 17 1 0 0 0 0 18 19 1 0 0 0 0 14 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 19 1 0 0 0 0 20 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 21 1 0 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 S SKP 8 ID FL2FAANF0012 KNApSAcK_ID C00014273 NAME Anastatin B;(2S)-2,3-Dihydro-5,9,10-trihydroxy-2-(4-hydroxyphenyl)-4H-benzofuro[2,3-h]-1-benzopyran-4-one CAS_RN 571186-33-9 FORMULA C21H14O7 EXACTMASS 378.073952802 AVERAGEMASS 378.33165999999994 SMILES o(c45)c(c(c4cc(O)c(O)c5)1)cc(c(C(=O)3)c(OC(C3)c(c2)ccc(O)c2)1)O M END