Mol:FL64RNNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 36 0 0 0 0 0 0 0 0999 V2000 -1.0421 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0421 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4858 -1.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0705 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0705 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4858 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6268 -1.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1831 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1831 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6268 0.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6268 -1.9264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4858 0.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0421 0.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5984 0.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0421 1.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5970 1.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4872 1.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1547 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1547 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5984 -1.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6409 0.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7924 -0.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -1.6528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7699 -0.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7699 -1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2811 -1.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -0.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2811 -0.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2811 0.2255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9223 -1.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2078 -1.8574 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 1 0 0 0 9 8 1 1 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 1 0 0 0 0 6 12 1 0 0 0 0 12 13 1 0 0 0 0 14 1 1 0 0 0 0 13 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 2 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 7 23 1 0 0 0 0 9 24 1 0 0 0 0 24 25 2 0 0 0 0 25 23 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 24 1 0 0 0 0 29 30 1 0 0 0 0 3 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 35 M SMT 1 OCH3 M SBV 1 35 -8.2394 3.7468 S SKP 8 ID FL64RNNP0001 KNApSAcK_ID C00008988 NAME 4,6'-Epoxyorotiniflavan-4-ol CAS_RN - FORMULA C26H28O6 EXACTMASS 436.188588628 AVERAGEMASS 436.49692 SMILES COc(c54)c(c3c(CC=C(C)C)c4OC(C)(C)C=C5)C(O1)(O)CC(O3)c(c2O)c1ccc2 M END