Mol:FL1CHYNF0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -2.5700 0.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5700 -0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0137 -0.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4574 -0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4574 0.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0137 0.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9011 -0.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3448 -0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2113 -0.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7674 -0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3284 -0.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8894 -0.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8894 0.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3284 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7674 0.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9011 -1.1396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2113 -1.2789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4503 0.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4503 -0.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4503 -1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0242 -1.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5982 -1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0242 -2.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1472 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7861 1.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0473 0.7551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0613 1.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7843 2.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3272 2.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5982 1.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0137 -1.2804 0.0000 O 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 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 9 17 1 0 0 0 0 13 18 1 0 0 0 0 12 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 6 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 1 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 3 31 1 0 0 0 0 S SKP 8 ID FL1CHYNF0001 KNApSAcK_ID C00007011 NAME Glyinflanin F CAS_RN 164123-52-8 FORMULA C25H28O6 EXACTMASS 424.188588628 AVERAGEMASS 424.48622 SMILES C(O)(c(c3)ccc(c3CC=C(C)C)O)=CC(=O)c(c2)c(cc(c21)OC(C(C)(C)O)C1)O M END
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