Mol:FL1DA9NC0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 38 0 0 0 0 0 0 0 0999 V2000 -1.0705 -0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5165 -1.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5165 -0.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5912 -1.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1437 -1.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6951 -1.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2452 -1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7836 -1.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3220 -1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3220 -0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7836 -0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2452 -0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5912 -1.9670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5165 -1.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6242 -0.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5912 -0.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6242 -1.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 -0.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 -0.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3220 -0.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3220 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 -1.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5225 0.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 1.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 1.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1739 1.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1739 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 0.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5546 1.9682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 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 11 2 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 10 1 0 0 0 0 7 16 2 0 0 0 0 3 17 1 0 0 0 0 1 18 1 0 0 0 0 5 19 1 0 0 0 0 2 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 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 21 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 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 28 1 0 0 0 0 29 34 1 0 0 0 0 27 6 1 0 0 0 0 22 18 1 0 0 0 0 S SKP 8 ID FL1DA9NC0007 KNApSAcK_ID C00007966 NAME Chamuvaritin;1-[1,3-Dihydroxy-4-[(2-hydroxyphenyl)methyl]-9H-xanthen-2-yl]-3-phenyl-1-propanone CAS_RN 64675-27-0 FORMULA C29H24O5 EXACTMASS 452.162373878 AVERAGEMASS 452.49786 SMILES c(c1)cc(Cc(c23)c(O)c(C(=O)CCc(c5)cccc5)c(O)c2Cc(c4)c(ccc4)O3)c(c1)O M END