Mol:FL2FACNI0004
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -2.8108 -0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8108 -1.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2545 -1.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6982 -1.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6982 -0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2545 -0.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1419 -1.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5856 -1.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5856 -0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1419 -0.3432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0295 -0.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 -0.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1044 -0.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1044 0.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 0.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0295 0.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1419 -2.1717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2545 -2.2701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3669 -0.3433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 1.2932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6712 0.6386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6712 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2369 -0.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8025 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3669 -0.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8025 -1.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5963 0.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5963 1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 1.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 2.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7264 1.2924 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 15 20 1 0 0 0 0 14 21 1 0 0 0 0 13 22 1 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 24 26 1 0 0 0 0 16 27 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 29 31 1 0 0 0 0 S SKP 8 ID FL2FACNI0004 KNApSAcK_ID C00008319 NAME Sigmoidin A CAS_RN 87746-48-3 FORMULA C25H28O6 EXACTMASS 424.188588628 AVERAGEMASS 424.48622 SMILES c(c3CC=C(C)C)c(c(CC=C(C)C)c(c(O)3)O)C(C1)Oc(c2)c(c(cc2O)O)C1=O M END
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