Mol:FL7AACGA0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -3.3078 0.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3078 0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6066 -0.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9054 0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9054 0.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6066 1.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2042 -0.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 0.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2042 1.3436 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.1980 1.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9127 0.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6274 1.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6274 2.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9127 2.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 2.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3418 2.5812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0087 1.3434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6066 -1.0852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2237 -0.4131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9127 3.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3858 -1.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 -2.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7741 -2.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 -2.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0087 -1.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1996 -2.1987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6044 -2.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3874 0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -0.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7758 -0.3698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5897 -0.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0104 0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2013 -0.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5868 0.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4946 0.3278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0104 1.1378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 -0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6717 -1.0913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4404 -2.5557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3064 -3.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 -3.4063 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 15 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 29 30 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 29 1 0 0 0 0 29 35 1 0 0 0 0 34 36 1 0 0 0 0 33 37 1 0 0 0 0 32 38 1 0 0 0 0 26 39 1 0 0 0 0 38 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 30 20 1 0 0 0 0 M CHG 1 10 1 S SKP 5 ID FL7AACGA0003 FORMULA C27H31O15 EXACTMASS 595.166295322 AVERAGEMASS 595.52604 SMILES Oc(c(O)1)ccc(c([o+1]2)c(OC(O4)C(O)C(O)C(O)C4COC(O5)C(C(O)C(O)C5C)O)cc(c3O)c2cc(O)c3)c1 M END
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