Mol:FLIA1LNP0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 28 32 0 0 0 0 0 0 0 0999 V2000 -1.9932 0.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9932 -0.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4369 -0.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8806 -0.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8806 0.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4369 0.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3243 -0.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2321 -0.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2321 0.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3243 0.5334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7881 -0.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7881 -1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3829 -1.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9777 -1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9777 -0.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3829 -0.4078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3243 -1.3934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4369 1.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9932 1.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5495 1.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5495 0.5334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5495 1.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0346 0.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6309 -1.6502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0346 -1.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6309 -0.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0737 -1.3686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7881 -1.7811 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 8 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 6 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 1 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 14 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 15 1 0 0 0 0 12 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 27 28 M SBL 1 1 31 M SMT 1 ^OCH3 M SBV 1 31 -6.6223 2.6948 S SKP 8 ID FLIA1LNP0002 KNApSAcK_ID C00009440 NAME Jamaicin CAS_RN 24211-36-7 FORMULA C22H18O6 EXACTMASS 378.110338308 AVERAGEMASS 378.37472 SMILES c(C(=C5)C(c(c(O5)3)ccc(O4)c(C=CC(C)(C)4)3)=O)(c(OC)1)cc(O2)c(OC2)c1 M END
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