Mol:FL3FRNNP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 41 0 0 0 0 0 0 0 0999 V2000 0.7127 -0.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7127 0.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0018 0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0018 -0.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4272 -0.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1416 -0.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1416 0.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4272 0.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8561 0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5706 0.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2850 0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2850 1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5706 2.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8561 1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4272 -1.6263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7163 -0.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7163 0.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0018 -1.6263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0018 1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7163 2.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4307 1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4307 0.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9995 2.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5706 -0.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2774 -0.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5019 -0.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6325 -1.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2778 -2.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3420 -1.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9873 -2.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1452 2.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8597 1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5729 2.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2862 1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9995 2.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2862 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9919 1.1125 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 17 2 0 0 0 0 16 4 2 0 0 0 0 4 1 1 0 0 0 0 1 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 2 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 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 9 1 0 0 0 0 5 15 2 0 0 0 0 17 16 1 0 0 0 0 4 18 1 0 0 0 0 3 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 17 1 0 0 0 0 12 23 1 0 0 0 0 10 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 6 1 0 0 0 0 25 27 1 6 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 21 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 21 37 1 0 0 0 0 S SKP 8 ID FL3FRNNP0002 KNApSAcK_ID C00013457 NAME Artocommunol CC;(9S)-8,9-Dihydro-6,12-dihydroxy-9-(1-hydroxy-1-methylethyl)-3-methyl-3-(4-methyl-3-pentenyl)-3H,7H-pyrano[2',3':7,8][1]benzopyrano[3,2-d][1]benzoxepin-7-one CAS_RN 502627-55-6 FORMULA C30H32O7 EXACTMASS 504.214803378 AVERAGEMASS 504.57088 SMILES C(=C15)(c(c4)c(OC(C(C)(C)O)C5)cc(c4)O)Oc(c23)c(c(cc2OC(C=C3)(CCC=C(C)C)C)O)C1=O M END