Mol:FL2FACNP0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 -1.7255 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7255 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1692 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6129 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6129 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1692 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0566 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4997 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4997 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0566 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0558 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6228 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1897 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1897 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6228 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0558 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0566 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1692 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2816 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6228 1.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7566 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2816 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8377 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3926 -1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9475 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3926 -1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1692 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7253 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7253 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2814 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1692 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7566 -0.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3222 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3237 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7559 1.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9475 0.4877 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 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 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 7 17 2 0 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 15 20 1 0 0 0 0 14 21 1 0 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 6 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 13 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 21 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 S SKP 8 ID FL2FACNP0002 KNApSAcK_ID C00008325 NAME Amorinin CAS_RN 83677-05-8 FORMULA C30H34O6 EXACTMASS 490.23553882 AVERAGEMASS 490.58736000000005 SMILES CC(C)=CCc(c1O)c(O2)c(C(=O)CC(c(c4)cc(c(c4O)3)C=CC(C)(C)O3)2)c(c(CC=C(C)C)1)O M END
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