Mol:FL7AADGA0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -2.9535 1.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9535 1.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2391 0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5247 1.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5247 1.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2391 2.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8102 0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 1.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 1.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8102 2.3981 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.6808 2.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3953 2.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1096 2.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1096 3.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3953 3.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6808 3.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7498 3.6286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5335 2.3204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2391 -0.0145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5544 0.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8014 2.0345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 2.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2769 -1.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4528 -1.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1951 -0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4261 0.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3982 0.0698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6559 -0.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 -0.5779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8877 -0.6891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 -0.9099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9081 -1.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6367 -0.3437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8847 -2.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0595 -2.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1468 -2.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7316 -1.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0936 -1.4983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -2.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8223 -1.9761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -3.4145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 -3.6714 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 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 14 17 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 8 20 1 0 0 0 0 13 21 1 0 0 0 0 21 22 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 28 1 0 0 0 0 28 23 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 26 20 1 0 0 0 0 34 35 1 1 0 0 0 35 36 1 1 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 36 40 1 0 0 0 0 35 41 1 0 0 0 0 34 42 1 0 0 0 0 37 33 1 0 0 0 0 M CHG 1 10 1 S SKP 5 ID FL7AADGA0003 FORMULA C27H31O15 EXACTMASS 595.166295322 AVERAGEMASS 595.52604 SMILES c(c(c5)ccc(O)c5OC)(c2OC(C3OC(C4O)OCC(C4O)O)OC(C(C3O)O)CO)[o+1]c(c1c2)cc(O)cc1O M END
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