Mol:FL5FDDNI0005
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -1.9631 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9631 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4068 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8505 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8505 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4068 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2942 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2621 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2621 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2942 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2942 -1.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8182 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3852 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9522 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9522 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3852 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8182 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4068 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9522 0.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4068 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9629 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9629 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4068 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3203 0.2978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8203 1.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1281 -1.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9941 -1.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6686 1.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1099 2.4556 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 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 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 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 15 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 1 25 1 0 0 0 0 25 26 1 0 0 0 0 8 27 1 0 0 0 0 27 28 1 0 0 0 0 16 29 1 0 0 0 0 29 30 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 29 30 M SBL 3 1 31 M SMT 3 OCH3 M SVB 3 31 1.6686 1.5583 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 27 28 M SBL 2 1 29 M SMT 2 OCH3 M SVB 2 29 0.4724 -1.1483 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 27 M SMT 1 OCH3 M SVB 1 27 -2.3203 0.2978 S SKP 8 ID FL5FDDNI0005 KNApSAcK_ID C00005027 NAME 5,4'-Dihydroxy-3,7,3'-trimethoxy-8-prenylflavone CAS_RN 40073-85-6 FORMULA C23H24O7 EXACTMASS 412.152203122 AVERAGEMASS 412.43246 SMILES O=C(c23)C(OC)=C(Oc2c(c(OC)cc(O)3)CC=C(C)C)c(c1)cc(OC)c(O)c1 M END
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