Mol:FL5FAAGL0019
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -4.3329 0.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3329 -0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6319 -0.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9309 -0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9309 0.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6319 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2298 -0.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5287 -0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5287 0.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2298 1.1282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2298 -1.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8281 1.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1136 0.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6009 1.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6009 1.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1136 2.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8281 1.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6319 -1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0337 1.1280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3152 2.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6861 -0.7275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8001 -0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0517 -1.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0264 -1.2627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8225 -1.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5711 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5964 -1.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0433 -0.4187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3238 -0.7602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1649 -1.5769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7102 2.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9618 2.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9364 1.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7327 1.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4811 2.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5065 2.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9515 2.7538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2113 2.4729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9805 1.6589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3654 1.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0337 0.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4855 -1.9574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1538 -2.7538 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 15 20 1 0 0 0 0 8 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 21 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 40 41 1 0 0 0 0 34 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 -0.6328 0.2019 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 -0.6630 0.1192 S SKP 5 ID FL5FAAGL0019 FORMULA C27H30O16 EXACTMASS 610.153384912 AVERAGEMASS 610.5175 SMILES c(c1)(O3)c(C(C(=C(c(c4)ccc(OC(O5)C(O)C(O)C(O)C5CO)c4)3)OC(C(O)2)OC(C(C(O)2)O)CO)=O)c(O)cc(O)1 M END
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