Mol:FL3FACGS0038
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 45 49 0 0 0 0 0 0 0 0999 V2000 -3.4480 -0.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 -1.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7503 -2.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0527 -1.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0527 -0.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7503 -0.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3552 -2.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6576 -1.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6576 -0.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3552 -0.4743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3552 -2.8462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0398 -0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7507 -0.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4616 -0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4616 0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7507 0.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0398 0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2514 -0.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7503 -2.8890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2186 0.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7507 1.5780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6674 0.7767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9872 0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2031 1.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9872 1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6674 2.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4516 1.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4384 2.8890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9858 2.5525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6809 0.7253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3872 1.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9676 0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7745 0.9365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5864 0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0061 1.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1991 1.2022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5060 1.2844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8009 1.7556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7162 1.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2954 0.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7420 1.6635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7420 0.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9685 1.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9685 2.8616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7420 1.5219 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 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 18 1 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 16 21 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 26 28 1 0 0 0 0 25 29 1 0 0 0 0 24 30 1 0 0 0 0 31 32 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 31 1 0 0 0 0 31 37 1 0 0 0 0 36 38 1 0 0 0 0 35 39 1 0 0 0 0 32 20 1 0 0 0 0 23 18 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 34 40 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 27 43 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 40 41 42 M SBL 1 1 46 M SMT 1 COOH M SBV 1 46 -0.7090 -0.1842 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 43 44 45 M SBL 2 1 49 M SMT 2 ^COOH M SBV 2 49 0.5168 -0.4321 S SKP 5 ID FL3FACGS0038 FORMULA C27H26O18 EXACTMASS 638.111914028 AVERAGEMASS 638.4845399999999 SMILES c(c1)(c(OC(C(O)5)OC(C(O)=O)C(O)C(O)5)ccc1C(O2)=CC(=O)c(c4O)c2cc(c4)OC(O3)C(C(C(O)C3C(O)=O)O)O)O M END
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