Mol:FL63ACGS0024
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -4.4573 -1.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4573 -1.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7429 -2.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0284 -1.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0284 -1.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7429 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 -2.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5995 -1.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5995 -1.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 -0.6199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8851 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1647 -1.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5557 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5557 0.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1647 0.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8851 0.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2452 0.6100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1716 -0.6199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8851 -2.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1647 1.4585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7429 -3.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4093 1.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9944 0.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7922 0.6778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5949 0.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0099 1.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2120 0.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7432 1.0636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6657 1.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6513 1.0482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4012 2.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5139 1.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8941 1.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0832 2.1612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 2.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0215 2.7813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8789 2.2282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2126 1.0393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0842 3.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0987 2.5239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1863 0.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1716 0.0194 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 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 6 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 17 14 1 0 0 0 0 1 18 1 0 0 0 0 8 19 1 1 0 0 0 15 20 1 0 0 0 0 3 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 23 17 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 34 20 1 0 0 0 0 40 41 1 0 0 0 0 36 40 1 0 0 0 0 42 43 1 0 0 0 0 25 42 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 40 41 M SBL 1 1 45 M SMT 1 ^CH2OH M SBV 1 45 0.2722 -0.9039 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 42 43 M SBL 2 1 47 M SMT 2 CH2OH M SBV 2 47 -0.5914 -0.1386 S SKP 5 ID FL63ACGS0024 FORMULA C27H34O16 EXACTMASS 614.18468504 AVERAGEMASS 614.54926 SMILES c(c1C(O5)C(Cc(c54)c(O)cc(c4)O)O)c(OC(O3)C(C(C(O)C(CO)3)O)O)c(OC(O2)C(C(C(C(CO)2)O)O)O)cc1 M END
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