Mol:FL1C1LNI0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 30 31 0 0 0 0 0 0 0 0999 V2000 -0.8231 0.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8231 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2668 -0.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2895 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2895 0.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2668 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9564 0.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4001 -0.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5125 -0.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0734 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5125 -0.9435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0734 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6260 0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1787 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1787 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6260 -0.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6260 -0.9262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7312 0.9880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6260 -0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1787 -0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0735 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5222 -0.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 -0.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4231 -0.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8741 -0.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 -0.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1787 -0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7312 -0.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3792 0.9611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8456 0.9611 0.0000 O 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 14 18 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 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 4 25 1 0 0 0 0 23 26 1 0 0 0 0 20 27 1 0 0 0 0 20 28 1 0 0 0 0 1 29 1 0 0 0 0 5 30 1 0 0 0 0 S SKP 8 ID FL1C1LNI0002 KNApSAcK_ID C00007137 NAME Kuwanol D CAS_RN 123702-93-2 FORMULA C25H28O5 EXACTMASS 408.193674006 AVERAGEMASS 408.48682 SMILES c(c1)(ccc(C(=O)C=Cc(c2)c(cc(c2CC=C(C)CCC=C(C)C)O)O)c1O)O M END
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