Mol:FL4DAAGS0011
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -0.1564 -0.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5579 -1.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2724 -0.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2724 0.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5579 0.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1564 0.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9868 -1.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7012 -0.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7012 0.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9868 0.4782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9868 -1.8903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4962 0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2215 0.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9466 0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9466 1.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2215 1.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4962 1.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8658 0.3215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3434 -1.5503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6717 1.7324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5579 -1.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4153 -0.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6370 -1.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9872 -0.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2596 -0.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9836 0.0881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6558 -0.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5768 -1.4154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1086 -0.7211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4826 -0.1669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5220 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3528 1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9415 0.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9796 -0.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1488 -0.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5602 0.3416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5680 -0.3425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6717 0.9469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1965 1.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6857 1.9231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0845 0.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8931 1.0584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 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 4 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 6 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 6 18 1 0 0 0 0 8 19 1 1 0 0 0 15 20 1 0 0 0 0 2 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 23 28 1 0 0 0 0 24 29 1 0 0 0 0 18 25 1 0 0 0 0 22 30 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 30 35 1 0 0 0 0 34 37 1 0 0 0 0 33 38 1 0 0 0 0 32 39 1 0 0 0 0 31 40 1 0 0 0 0 41 42 1 0 0 0 0 27 41 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 41 42 M SBL 1 1 46 M SMT 1 ^ CH2OH M SBV 1 46 0.4287 -0.7142 S SKP 5 ID FL4DAAGS0011 FORMULA C27H32O15 EXACTMASS 596.174120354 AVERAGEMASS 596.5339799999999 SMILES Oc(c5)ccc(c5)C(C(O)4)Oc(c(C4=O)1)cc(OC(O3)C(C(O)C(C3CO)OC(O2)C(O)C(O)C(O)C(C)2)O)cc1O M END
</pre>