Mol:FL3FACGS0043
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 53 58 0 0 0 0 0 0 0 0999 V2000 0.3432 -0.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3432 -1.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0158 -1.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6886 -1.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6886 -0.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0158 -0.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3612 -1.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0339 -1.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0339 -0.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3612 -0.3343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3612 -2.4935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7064 -0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3920 -0.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0777 -0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0777 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3920 0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7064 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2405 -0.3121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0158 -2.6631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9640 0.9690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1665 1.8908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8073 1.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7300 1.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6204 1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9734 2.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0308 1.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5359 1.6214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8922 1.1600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4045 0.9274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3871 1.6480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4646 -0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8238 -0.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9010 -0.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0107 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6577 0.0314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4650 -0.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9825 0.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1028 -0.4251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5326 -1.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 -1.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2434 0.4479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4625 -0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7103 0.8640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4625 1.7361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2434 2.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9957 1.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6714 0.1718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8676 2.6631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4611 2.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6760 1.8575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9640 0.4185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2605 2.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2702 2.6140 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 18 1 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 30 16 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 36 37 1 0 0 0 0 31 38 1 0 0 0 0 32 39 1 0 0 0 0 33 40 1 0 0 0 0 42 41 1 1 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 1 0 0 0 46 41 1 1 0 0 0 42 47 1 0 0 0 0 47 37 1 0 0 0 0 45 48 1 0 0 0 0 44 49 1 0 0 0 0 46 50 1 0 0 0 0 41 51 1 0 0 0 0 34 18 1 0 0 0 0 52 53 1 0 0 0 0 26 52 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 52 53 M SBL 1 1 58 M SMT 1 ^CH2OH M SBV 1 58 0.7704 -0.6264 S SKP 5 ID FL3FACGS0043 FORMULA C33H40O20 EXACTMASS 756.21129372 AVERAGEMASS 756.6587 SMILES OC(C1O)C(C(C)OC1OCC(O2)C(O)C(O)C(O)C2Oc(c3)cc(O)c(C(=O)4)c(OC(c(c5)ccc(O)c(OC(O6)C(C(O)C(O)C(CO)6)O)5)=C4)3)O M END
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