Mol:FL5FADGS0011
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -3.5307 0.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5307 -0.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8162 -1.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1017 -0.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1017 0.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8162 0.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3873 -1.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6728 -0.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6728 0.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3873 0.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3873 -1.8162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9551 0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6833 0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6833 1.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9551 1.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 1.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8162 -1.9977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4051 1.9731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3841 0.5572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1026 -1.3307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5549 -2.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2425 -2.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0243 -2.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2425 -1.4371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5549 -1.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7731 -1.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6163 -1.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5906 -3.2011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1091 -3.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5396 -2.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4085 -1.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9244 -2.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6674 -1.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3841 -1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8632 -1.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2134 -1.7206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3278 -2.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0132 -2.2937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3725 -2.7200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9698 2.5738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5366 3.7262 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 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 3 18 1 0 0 0 0 19 15 1 0 0 0 0 4 3 1 0 0 0 0 1 20 1 0 0 0 0 21 8 1 0 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 27 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 26 21 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 33 38 1 0 0 0 0 34 39 1 0 0 0 0 35 40 1 0 0 0 0 32 28 1 0 0 0 0 41 42 1 0 0 0 0 16 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 OCH3 M SBV 1 46 -0.0148 -0.6768 S SKP 5 ID FL5FADGS0011 FORMULA C27H30O15 EXACTMASS 594.15847029 AVERAGEMASS 594.5181 SMILES C(C2OC(C3=O)=C(c(c5)ccc(c5OC)O)Oc(c4)c(c(cc4O)O)3)(C(O)C(C(C)O2)O)OC(O1)C(C(C(C1)O)O)O M END
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