Mol:FL5F1CNP0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -1.4107 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4107 -1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8544 -1.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2981 -1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2981 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8544 -0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2582 -1.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8145 -1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8145 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2582 -0.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2582 -1.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3706 -0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9376 -0.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5046 -0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5046 0.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9376 0.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3706 0.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 -0.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5233 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5233 -1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 -1.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9368 0.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0714 -0.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8544 0.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4105 0.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4105 1.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9666 1.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8544 1.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9376 1.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0714 0.9114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6805 -1.5340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5465 -2.0341 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 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 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 2 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 6 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 16 29 1 0 0 0 0 15 30 1 0 0 0 0 8 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 34 M SMT 1 OCH3 M SVB 1 34 1.0134 -1.2402 S SKP 8 ID FL5F1CNP0003 KNApSAcK_ID C00005084 NAME Macaflavone II CAS_RN 102822-11-7 FORMULA C26H26O6 EXACTMASS 434.172938564 AVERAGEMASS 434.48103999999995 SMILES c(c2)(C4=O)c(OC(=C4OC)c(c3)ccc(O)c(O)3)c(CC=C(C)C)c(c21)OC(C=C1)(C)C M END