Mol:FL1DA9NC0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 0 0 0 0 0 0999 V2000 3.1410 -3.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6144 -2.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5640 -2.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0403 -1.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5671 -2.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6174 -2.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0276 -1.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4664 -1.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3793 -0.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4701 0.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9845 0.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4988 0.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4988 1.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9845 1.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4701 1.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1913 -3.6473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0371 -1.8336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4499 -1.0680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1378 -2.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6108 -2.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1168 -2.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5741 -2.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5254 -2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0194 -1.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5621 -2.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1654 -3.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0434 -2.0080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1371 -1.5855 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 1 16 1 0 0 0 0 3 17 1 0 0 0 0 7 18 2 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 21 26 1 0 0 0 0 5 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 27 28 M SBL 1 1 29 M SMT 1 OCH3 M SVB 1 29 0.4696 0.9795 S SKP 8 ID FL1DA9NC0003 KNApSAcK_ID C00001012 NAME Uvaretin CAS_RN 58449-06-2 FORMULA C23H22O5 EXACTMASS 378.146723814 AVERAGEMASS 378.41778000000005 SMILES O(C)c(c2C(=O)CCc(c3)cccc3)cc(c(c2O)Cc(c1)c(ccc1)O)O M END