Mol:FL1DA9NC0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 -1.0705 -0.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5165 -1.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -0.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5165 -0.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5912 -1.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1437 -0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6951 -1.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2452 -0.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7836 -1.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3220 -0.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3220 -0.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7836 -0.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2452 -0.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5912 -1.9515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5165 -1.9530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6242 -0.0344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6242 -1.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 -0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 -0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 -0.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3220 -0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3220 -0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 -1.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 -1.9840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5225 0.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 1.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 1.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1739 1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1739 1.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 0.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5546 1.9837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5912 -0.0344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3057 -0.4469 0.0000 C 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 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 11 2 0 0 0 0 11 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 10 1 0 0 0 0 7 16 2 0 0 0 0 3 17 1 0 0 0 0 1 18 1 0 0 0 0 2 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 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 24 25 2 0 0 0 0 25 20 1 0 0 0 0 25 26 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 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 28 1 0 0 0 0 29 34 1 0 0 0 0 27 6 1 0 0 0 0 5 35 1 0 0 0 0 35 36 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 35 36 M SBL 1 1 38 M SMT 1 OCH3 M SBV 1 38 -4.8233 2.7500 S SKP 8 ID FL1DA9NC0006 KNApSAcK_ID C00007965 NAME Diuvaretin CAS_RN 61463-04-5 FORMULA C30H28O6 EXACTMASS 484.188588628 AVERAGEMASS 484.53972000000005 SMILES c(c(Cc(c(O)2)c(O)c(C(CCc(c4)cccc4)=O)c(OC)c2Cc(c3)c(O)ccc3)1)cccc(O)1 M END