Mol:FL1C28NI0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 32 0 0 0 0 0 0 0 0999 V2000 3.3262 0.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3262 -0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8825 -0.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4388 -0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4388 0.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8825 0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 -0.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7493 -0.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6369 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 -0.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6369 -1.2407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 0.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5233 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0293 0.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0293 -0.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5233 -0.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5233 -1.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5819 -0.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8825 -1.2628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1344 -0.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6869 -0.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2382 -0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6869 -1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7884 -0.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3385 -0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8887 -0.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4388 -0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8887 -1.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5819 0.6908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7996 1.2628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 0.8503 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 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 8 1 0 0 0 0 10 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 10 1 0 0 0 0 16 17 1 0 0 0 0 15 18 1 0 0 0 0 3 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 14 29 1 0 0 0 0 13 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 31 M SMT 1 OCH3 M SBV 1 31 -6.8709 2.9773 S SKP 8 ID FL1C28NI0001 KNApSAcK_ID C00007142 NAME 5-Deoxyhomoflemingin CAS_RN 25146-22-9 FORMULA C26H30O5 EXACTMASS 422.20932407 AVERAGEMASS 422.5134 SMILES c(c1C=CC(=O)c(c(O)2)cc(c(c2CC=C(CCC=C(C)C)C)O)OC)cccc(O)1 M END
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