Mol:FL3FQUNP0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 37 42 0 0 0 0 0 0 0 0999 V2000 -1.5012 -2.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4966 -1.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7891 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0723 -2.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0676 -1.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7798 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7891 -3.1283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6398 -2.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3566 -2.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3613 -1.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6492 -0.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2087 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9255 -1.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9302 -2.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2181 -2.4794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0704 -0.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0673 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3552 0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6461 -0.0076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7841 0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7841 1.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0673 1.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3552 1.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0673 2.4804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3552 2.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6431 2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6431 1.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4742 0.0154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9106 3.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7703 3.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7353 -1.2247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7798 -0.2374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6398 -3.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0835 -3.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1703 -3.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2615 -2.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4742 -1.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 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 2 1 0 0 0 0 3 7 2 0 0 0 0 4 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 5 1 0 0 0 0 2 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 1 1 0 0 0 0 10 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 11 1 0 0 0 0 17 20 2 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 18 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 23 1 0 0 0 0 20 28 1 0 0 0 0 25 29 1 0 0 0 0 25 30 1 0 0 0 0 16 31 2 0 0 0 0 6 32 2 0 0 0 0 8 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 S SKP 8 ID FL3FQUNP0002 KNApSAcK_ID C00013494 NAME Artonol D;6-Hydroxy-3,3,12,12-tetramethyl-9-(1-methylethenyl)-3H,7H,8H-[1]benzopyrano[7,6-c]pyrano[3,2-h]xanthene-7,10,15(9H,12H)-trione CAS_RN 186824-60-2 FORMULA C30H26O7 EXACTMASS 498.167853186 AVERAGEMASS 498.52324 SMILES c(c6=O)(C(C(C)=C)4)c(c(=O)c(c65)C=CC(O5)(C)C)C(O1)=C(C4)C(c(c(O)3)c1c(c2c3)C=CC(C)(C)O2)=O M END
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