Mol:FL3FADGS0023
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 2.4812 1.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4812 0.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1956 0.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9101 0.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9101 1.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1956 1.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 0.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0522 0.7224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3377 0.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3377 -0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0522 -0.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3767 0.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0911 0.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0911 -0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3767 -0.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0522 -1.6459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8057 0.7224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3767 -1.6135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6157 1.9490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6304 0.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2116 0.7258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5184 1.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1059 0.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3078 0.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5145 0.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 1.2305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7251 1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0250 1.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7715 1.5513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1444 1.0937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6974 0.6881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8090 0.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3080 -0.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7205 -1.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9272 -1.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1292 -1.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7166 -0.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5099 -0.8569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1132 -1.9599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2783 -1.7592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2116 -1.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0217 -0.7306 0.0000 C 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 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 16 19 1 0 0 0 0 5 20 1 0 0 0 0 4 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 18 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 1 0 0 0 37 36 1 1 0 0 0 38 37 1 1 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 37 40 1 0 0 0 0 36 41 1 0 0 0 0 35 42 1 0 0 0 0 34 43 1 0 0 0 0 38 33 1 0 0 0 0 S SKP 5 ID FL3FADGS0023 FORMULA C28H32O15 EXACTMASS 608.174120354 AVERAGEMASS 608.54468 SMILES c(c1)c(C(O5)=CC(=O)c(c54)c(cc(c4)OC(O3)C(C(C(O)C3CO)O)OC(O2)C(O)C(C(C2C)O)O)O)cc(c1O)OC M END
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