Mol:FL7AACGL0010
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 0 0 0 0 0 0999 V2000 -3.6402 0.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6402 0.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9258 -0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2113 0.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2113 0.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9258 1.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4969 -0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7825 0.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7825 0.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4969 1.3496 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 -0.0683 1.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6599 0.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 1.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 2.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6599 2.6106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0683 2.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1159 2.6104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3544 1.3493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9258 -1.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0271 -0.3376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6599 3.4511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2144 -2.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3751 -2.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2075 -2.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4036 -1.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2144 -1.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0184 -1.7054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1836 -3.4511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7037 -2.5541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1101 -0.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7338 -0.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5002 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3011 -0.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6568 0.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9920 -0.1236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3691 -0.6298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0839 -0.7899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8289 -0.0255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2003 -0.8364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3109 0.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9485 1.4003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3544 0.2207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2563 -3.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5317 -3.2159 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 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 23 28 1 0 0 0 0 24 29 1 0 0 0 0 26 20 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 35 1 0 0 0 0 35 30 1 0 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 33 38 1 0 0 0 0 32 39 1 0 0 0 0 25 36 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 34 40 1 0 0 0 0 43 44 1 0 0 0 0 22 43 1 0 0 0 0 M CHG 1 10 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 40 41 42 M SBL 1 1 46 M SMT 1 COOH M SBV 1 46 -0.6541 -0.2166 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 43 44 M SBL 2 1 48 M SMT 2 ^ CH2OH M SBV 2 48 0.0419 0.6696 S SKP 5 ID FL7AACGL0010 FORMULA C27H29O17 EXACTMASS 625.140474502 AVERAGEMASS 625.50896 SMILES Oc(c(O)1)ccc(c(c(OC(C4OC(O5)C(O)C(C(C5C(O)=O)O)O)OC(CO)C(C(O)4)O)3)[o+1]c(c2c3)cc(O)cc2O)c1 M END
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