Mol:FLIDHXNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -1.5404 1.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5404 1.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0399 0.9376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5395 1.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5395 1.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0399 2.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 0.9376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4614 1.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4614 1.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 2.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0811 0.3723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6558 0.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8909 0.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9955 -0.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5702 -0.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8052 0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4656 0.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9835 2.1428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5008 0.4759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9834 1.3664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7606 -0.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -1.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8657 -1.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2043 -2.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2927 -1.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9835 -0.9174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1866 -0.7039 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 12 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 13 1 0 0 0 0 18 1 1 0 0 0 0 7 19 1 6 0 0 0 8 20 1 6 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 15 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 29 M SMT 1 OCH3 M SBV 1 29 -6.6813 5.7053 S SKP 8 ID FLIDHXNI0001 KNApSAcK_ID C00002515 NAME Cristacarpin;Erythrabyssin I CAS_RN 74515-47-2 FORMULA C21H22O5 EXACTMASS 354.146723814 AVERAGEMASS 354.39638 SMILES C(O2)(c34)([H])C(COc(cc(O)cc4)3)(O)c(c21)ccc(OC)c(CC=C(C)C)1 M END