Mol:FL2FBANC0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 0.2961 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0103 0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2961 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0113 -1.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7255 -1.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -0.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4402 -1.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1544 -1.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 -0.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4393 0.2075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7829 0.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4976 -0.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2118 0.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2113 0.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4966 1.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7824 0.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4406 -2.0954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0117 -2.2551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4186 0.2059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8112 1.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3929 -2.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0103 0.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6988 1.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4133 0.9624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1277 1.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1277 2.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4133 2.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6988 2.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6770 2.5170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3551 1.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3484 0.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0056 1.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6801 0.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6801 0.2176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3847 1.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1093 0.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8436 1.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8436 2.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5581 2.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2725 2.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2725 1.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5581 0.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8112 2.4880 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 2 1 0 0 0 0 5 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 6 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 4 18 1 0 0 0 0 1 19 1 0 0 0 0 14 20 1 0 0 0 0 18 21 1 0 0 0 0 2 22 1 0 0 0 0 22 23 1 1 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 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 26 29 1 0 0 0 0 22 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 1 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 37 1 0 0 0 0 40 43 1 0 0 0 0 S SKP 8 ID FL2FBANC0007 KNApSAcK_ID C00014291 NAME Epicalyxin C CAS_RN 193816-85-2 FORMULA C35H34O8 EXACTMASS 582.225368064 AVERAGEMASS 582.63966 SMILES c(O)(c1)ccc(C(C=CCC(O)CCc(c5)ccc(c5)O)c(c42)c(O)cc(OC)c(C(=O)CC(O4)c(c3)ccc(O)c3)2)c1 M END