Mol:FL5FECGS0042
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 47 51 0 0 0 0 0 0 0 0999 V2000 -0.8770 0.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -0.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1623 -0.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5524 -0.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5524 0.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1623 0.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2672 -0.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9817 -0.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9817 0.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2672 0.9448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2672 -1.5532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8818 1.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6099 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3385 1.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3385 1.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6099 2.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8818 1.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1623 -1.5308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1180 2.3946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6441 0.9847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -0.8103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5859 -2.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2739 -2.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0556 -1.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2739 -0.9994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5859 -0.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6476 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7021 -2.8776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2462 -3.2067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5522 -2.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1355 1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4608 0.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6748 1.4485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4608 2.2022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1355 2.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9215 1.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9306 3.2067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5007 2.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5462 2.2501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8927 1.0881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6099 3.2060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5218 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5218 2.1465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1180 1.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5836 -0.7011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6656 -1.2312 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 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 1 0 0 0 37 32 1 1 0 0 0 36 38 1 0 0 0 0 35 39 1 0 0 0 0 37 40 1 0 0 0 0 32 41 1 0 0 0 0 20 33 1 0 0 0 0 16 42 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 43 41 1 0 0 0 0 46 47 1 0 0 0 0 2 46 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 46 47 M SBL 1 1 51 M SMT 1 ^OCH3 M SBV 1 51 0.7067 0.4079 S SKP 5 ID FL5FECGS0042 FORMULA C30H34O17 EXACTMASS 666.179599662 AVERAGEMASS 666.58076 SMILES c(O)(c5O)ccc(c5)C(O2)=C(C(c(c(O)4)c(cc(c4OC)OC(C3OC(C)=O)OC(C)C(C(O)3)O)2)=O)OC(C1O)OC(C(C(O)1)O)C M END
</pre>