Mol:FLIDHXNS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 29 0 0 0 0 0 0 0 0999 V2000 -1.6630 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6630 0.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 0.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6621 0.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6621 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 1.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1616 0.1071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3388 0.3960 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3388 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1616 1.2628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0415 -0.4581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5332 -0.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7682 0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8729 -0.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4476 -0.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6826 -0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3429 0.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1061 1.3123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6856 -0.1954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8589 0.6963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8770 -1.3123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3775 -1.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2573 -0.4581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3775 0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3628 0.6905 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 15 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 16 1 0 0 0 0 2 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 28 M SMT 1 OCH3 M SVB 1 28 -2.3775 0.5198 S SKP 8 ID FLIDHXNS0004 KNApSAcK_ID C00002533 NAME Hildecarpin;3,6a-Dihydroxy-2-methoxy-8,9-methylenedioxypterocarpan CAS_RN 99624-64-3 FORMULA C17H14O7 EXACTMASS 330.073952802 AVERAGEMASS 330.28886 SMILES COc(c(O)5)cc(c(c5)4)[C@]([H])(O1)[C@@](O)(CO4)c(c2)c(cc(O3)c(OC3)2)1 M END