Mol:FL5FAGGN0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 46 51 0 0 0 0 0 0 0 0999 V2000 -1.1752 -2.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4692 -2.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4692 -1.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1752 -0.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8812 -1.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8812 -2.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2368 -2.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9428 -2.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9428 -1.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2368 -0.8039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7707 -0.7335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4865 -1.1467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2023 -0.7335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2023 0.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4865 0.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7707 0.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 0.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8001 -1.0786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5317 -2.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2368 -3.0967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1752 -3.0615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5173 -0.8442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4865 1.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6227 2.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1337 2.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 2.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1564 1.3879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9129 1.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1402 2.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7302 2.3471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1337 3.0967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2299 2.7543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2182 1.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 1.0477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7334 1.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9195 1.7423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1774 0.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1752 -0.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 -0.0906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9357 0.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9357 1.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5705 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2054 1.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2054 0.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5705 -0.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8001 1.4249 0.0000 O 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 2 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 3 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 14 17 1 0 0 0 0 13 18 1 0 0 0 0 8 19 1 0 0 0 0 7 20 2 0 0 0 0 1 21 1 0 0 0 0 5 22 1 0 0 0 0 15 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 28 27 1 1 0 0 0 28 29 1 0 0 0 0 29 24 1 0 0 0 0 23 28 1 0 0 0 0 29 30 1 0 0 0 0 25 31 1 0 0 0 0 24 32 1 0 0 0 0 26 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 4 38 1 0 0 0 0 38 37 1 1 0 0 0 38 39 1 6 0 0 0 38 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 40 1 0 0 0 0 43 46 1 0 0 0 0 S SKP 8 ID FL5FAGGN0002 KNApSAcK_ID C00011177 NAME Nympholide B CAS_RN 604004-59-3 FORMULA C30H26O15 EXACTMASS 626.127170162 AVERAGEMASS 626.51844 SMILES Oc(c1)c(c(O3)cc1C(O6)=C(C(c(c62)c(cc(O)c2C(c(c5)ccc(c5)O)([H])CC(OCC(C(O)4)OC3C(O)C(O)4)=O)O)=O)O)O M END