Mol:FL5FAANI0008
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -1.9797 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9797 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4234 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8671 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8671 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4234 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3108 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2456 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2456 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3108 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3108 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8016 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3686 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9356 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9356 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3686 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8016 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8253 -0.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4234 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5024 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5358 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5358 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5024 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6337 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1981 0.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6337 -0.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0907 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6444 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1981 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6444 -1.4508 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 7 11 2 0 0 0 0 9 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 17 2 0 0 0 0 17 12 1 0 0 0 0 8 18 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 2 21 1 0 0 0 0 1 22 1 0 0 0 0 14 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 21 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 S SKP 8 ID FL5FAANI0008 KNApSAcK_ID C00005020 NAME Glyasperin A;3,5,7-Trihydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one CAS_RN 142474-52-0 FORMULA C25H26O6 EXACTMASS 422.172938564 AVERAGEMASS 422.47033999999996 SMILES C(c(c1O)cc(C(=C(O)3)Oc(c(C3=O)2)cc(O)c(c2O)CC=C(C)C)cc1)C=C(C)C M END
</pre>