Mol:FL3FRNNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -0.1399 -0.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1352 0.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5699 -0.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 -0.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2937 0.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5816 0.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7226 0.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0105 0.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 0.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5642 0.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5688 -0.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8591 -0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4317 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4288 1.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7165 2.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0074 1.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8591 -1.4897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5699 -1.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1433 2.2241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6704 -0.8162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3967 -0.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7264 -0.2552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8092 -1.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0950 -1.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5239 -1.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2217 -2.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2346 0.9638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9490 0.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2780 -0.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9285 -0.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5816 -0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5816 -1.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1433 -0.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 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 2 1 0 0 0 0 7 8 1 0 0 0 0 8 5 1 0 0 0 0 2 9 2 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 1 2 0 0 0 0 7 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 8 2 0 0 0 0 12 17 1 0 0 0 0 3 18 2 0 0 0 0 14 19 1 0 0 0 0 4 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 7 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 10 27 1 0 0 0 0 27 28 1 0 0 0 0 11 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 S SKP 8 ID FL3FRNNI0001 KNApSAcK_ID C00013504 NAME Artonin S;(+)-6,7-Dihydro-3,9-dihydroxy-6-(1-hydroxy-1-methylethyl)-11-methoxy-10-(3-methyl-2-butenyl)-8H-[1]benzopyrano[3,2-d][1]benzoxepin-8-one CAS_RN 161017-02-3 FORMULA C26H28O7 EXACTMASS 452.18350325 AVERAGEMASS 452.49631999999997 SMILES C(C=C(C)C)c(c(O)1)c(OC)cc(O4)c(C(=O)C(=C42)CC(C(C)(C)O)Oc(c3)c2ccc(O)3)1 M END