Mol:FLID1CNP0005
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 36 0 0 0 0 0 0 0 0999 V2000 -0.8008 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8008 -0.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2445 -0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3118 -0.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3118 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2445 0.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8681 -0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4244 -0.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4244 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8681 0.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9805 -0.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9805 -1.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5753 -1.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1701 -1.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1701 -0.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5753 -0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 -1.4861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2445 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8233 -1.6986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2270 -1.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8233 -0.5873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8008 1.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3571 1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3571 0.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3571 1.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8911 0.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5218 1.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0910 0.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6590 1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2270 0.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6590 1.8298 0.0000 C 0 0 0 0 0 0 0 0 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 8 11 1 0 0 0 0 11 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 11 2 0 0 0 0 7 17 1 0 0 0 0 1 2 1 0 0 0 0 12 17 1 0 0 0 0 6 18 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 15 1 0 0 0 0 18 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 1 1 0 0 0 0 23 25 1 0 0 0 0 23 26 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 26 27 1 0 0 0 0 S SKP 8 ID FLID1CNP0005 KNApSAcK_ID C00009671 NAME Nitiducarpin CAS_RN 66446-93-3 FORMULA C26H26O5 EXACTMASS 418.178023942 AVERAGEMASS 418.48163999999997 SMILES C(C(C=6)(Oc(c(C6)1)ccc(C25)c(OCC2c(c3O5)cc(O4)c(OC4)c3)1)C)CC=C(C)C M END
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