Mol:FL5FACGA0017
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 53 58 0 0 0 0 0 0 0 0999 V2000 -3.0423 1.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0423 0.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3313 0.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6203 0.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6203 1.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3313 1.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9093 0.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1983 0.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1983 1.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9093 1.8324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9093 -0.4496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5124 1.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2371 1.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9617 1.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9617 2.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2371 3.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5124 2.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7530 1.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 0.1850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3313 -0.6302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0978 -1.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6688 -1.8359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4939 -1.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3239 -1.8359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7530 -1.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9279 -1.3285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4261 -1.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6239 0.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1948 -0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0199 0.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8499 -0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2791 0.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4540 0.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9109 0.5475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7937 1.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4332 0.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6797 -0.4965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1556 -1.7558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0391 -2.1813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3239 -2.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7719 3.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2371 3.9238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4145 -2.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8435 -3.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0184 -2.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8116 -3.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2408 -2.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4157 -2.6924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0862 -2.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3786 -3.0565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 -3.5657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8116 -3.9238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 1.0758 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 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 1 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 28 1 0 0 0 0 28 34 1 0 0 0 0 33 35 1 0 0 0 0 31 36 1 0 0 0 0 25 37 1 0 0 0 0 36 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 29 19 1 0 0 0 0 41 15 1 0 0 0 0 16 42 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 1 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 47 48 1 0 0 0 0 48 43 1 0 0 0 0 43 49 1 0 0 0 0 44 50 1 0 0 0 0 45 51 1 0 0 0 0 46 52 1 0 0 0 0 47 38 1 0 0 0 0 32 53 1 0 0 0 0 S SKP 5 ID FL5FACGA0017 FORMULA C33H40O20 EXACTMASS 756.21129372 AVERAGEMASS 756.6587 SMILES c(c51)(OC(c(c6)ccc(O)c6O)=C(C5=O)OC(C(O)4)OC(C(O)C4O)COC(O2)C(O)C(C(OC(O3)C(C(C(C(C)3)O)O)O)C2C)O)cc(cc1O)O M END
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