Mol:FL1C1LNI0006
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 39 41 0 0 0 0 0 0 0 0999 V2000 0.0039 0.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0039 -0.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7184 -0.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4329 -0.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4329 0.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7184 0.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1473 -0.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1473 -1.6576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8618 -0.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8618 0.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5763 0.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2907 0.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0052 0.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0052 1.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2907 2.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5763 1.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7197 2.0549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2907 -0.4201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7184 -1.6576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7106 0.8174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7106 -0.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7106 -1.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -2.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -2.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1395 -1.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8540 -2.0701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5684 -1.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2829 -2.0701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5684 -0.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2829 -0.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2836 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5632 0.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5632 1.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2803 2.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0010 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0010 0.8196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2803 2.8951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7197 2.0649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7197 2.8930 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 4 7 1 0 0 0 0 7 8 2 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 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 12 18 1 0 0 0 0 3 19 1 0 0 0 0 1 20 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 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 35 36 2 0 0 0 0 36 31 1 0 0 0 0 34 37 1 0 0 0 0 35 38 1 0 0 0 0 38 39 1 0 0 0 0 S SKP 8 ID FL1C1LNI0006 KNApSAcK_ID C00014483 NAME Gemichalcone C;3'-(4-Feruloyloxy-3-methylbutyl-2(Z)-enyl)-2,4,2',4'-tetrahydroxychalcone CAS_RN 238750-50-0 FORMULA C30H28O9 EXACTMASS 532.173332494 AVERAGEMASS 532.53792 SMILES c(O)(c(CC=C(C)COC(C=Cc(c3)cc(OC)c(O)c3)=O)2)c(ccc(O)2)C(=O)C=Cc(c1O)ccc(c1)O M END
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