Mol:FLIE1ANP0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 25 29 0 0 0 0 0 0 0 0999 V2000 -1.6629 1.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6629 1.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1624 0.7551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 1.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 1.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1624 1.9109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1615 0.7551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3389 1.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3389 1.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1615 1.9109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 1.8766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0414 0.1899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 0.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7684 0.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 1.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8730 -0.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4477 -0.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6827 0.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3431 0.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 -0.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9776 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5523 -1.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7874 -0.7451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7232 -1.9109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1040 -1.4208 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 2 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 1 11 1 0 0 0 0 7 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 8 1 0 0 0 0 9 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 16 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 17 1 0 0 0 0 22 24 1 1 0 0 0 22 25 1 6 0 0 0 S SKP 8 ID FLIE1ANP0001 KNApSAcK_ID C00002572 NAME Sojagol;Soyagol CAS_RN 18979-00-5 FORMULA C20H16O5 EXACTMASS 336.099773622 AVERAGEMASS 336.33804000000003 SMILES c(O)(c5)ccc(c51)c(o4)c(c(c42)ccc(O3)c2CCC(C)(C)3)C(=O)O1 M END
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