Mol:FLIFUNNF0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 29 32 0 0 0 0 0 0 0 0999 V2000 -1.6628 -0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9768 0.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9768 0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6628 1.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3489 0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3489 0.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3761 1.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2357 -0.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4801 0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2357 -1.0907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1343 -0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7885 0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7885 0.7726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1343 1.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4801 0.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1343 -1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7885 -1.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4428 -1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4428 -0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9518 -1.4099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6031 -1.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7885 -2.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4734 -2.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6628 2.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3640 2.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0652 2.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0652 1.2201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4114 2.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6031 1.7192 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 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 3 7 1 0 0 0 0 2 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 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 1 0 0 0 0 14 15 1 0 0 0 0 15 9 1 0 0 0 0 11 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 12 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 17 22 1 0 0 0 0 22 23 1 0 0 0 0 4 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 5 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 S SKP 8 ID FLIFUNNF0001 KNApSAcK_ID C00011149 NAME 7a-O-Methyldeguelol CAS_RN 851606-54-7 FORMULA C23H24O6 EXACTMASS 396.1572885 AVERAGEMASS 396.43306 SMILES c(c2)c(C(C(C3)c(c4)c(cc(OC)c4OC)OC3)=O)c(O)c(c12)C=CC(O1)(C)C M END
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