Mol:FL5FAAGL0059
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 64 70 0 0 0 0 0 0 0 0999 V2000 -1.1210 1.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4199 -0.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2813 0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2813 1.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4199 1.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9824 -0.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6835 0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6835 1.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9824 1.5185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9824 -0.7317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3843 1.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0988 1.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8134 1.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8134 2.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0988 2.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3843 2.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8218 1.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4909 -0.1254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4199 -0.9098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2149 -1.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7918 -2.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6055 -2.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4240 -2.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8471 -1.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0335 -1.7809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5428 -1.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4974 0.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0743 -0.3504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8880 -0.1179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7066 -0.3504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1297 0.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3160 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7955 0.3149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8174 0.7288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7906 0.1955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3393 -0.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7968 -0.8175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2013 -2.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1974 -2.6822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4240 -2.9952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6123 2.8048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6366 1.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0985 0.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3237 1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5760 1.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1194 1.8014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9108 1.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2353 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6414 0.9498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5058 0.7288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0794 -1.4618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7574 -0.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9364 -1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4159 -0.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7724 -0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5147 0.1808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0580 -0.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4380 -1.3749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5529 -0.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5565 2.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 2.9952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8429 -0.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8471 -0.5260 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 32 36 1 0 0 0 0 31 37 1 0 0 0 0 25 38 1 0 0 0 0 37 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 29 19 1 0 0 0 0 42 15 1 0 0 0 0 43 44 1 1 0 0 0 44 45 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 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 53 54 1 1 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 53 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 52 53 1 0 0 0 0 56 51 1 0 0 0 0 46 18 1 0 0 0 0 61 62 1 0 0 0 0 48 61 1 0 0 0 0 63 64 1 0 0 0 0 58 63 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 61 62 M SBL 1 1 68 M SMT 1 ^ CH2OH M SBV 1 68 0.6457 -0.5421 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 63 64 M SBL 2 1 70 M SMT 2 ^ CH2OH M SBV 2 70 0.7849 -0.2041 S SKP 5 ID FL5FAAGL0059 FORMULA C39H50O25 EXACTMASS 918.26411715 AVERAGEMASS 918.7993 SMILES Oc(c34)cc(cc3OC(c(c7)ccc(O)c7)=C(OC(O5)C(C(C(C5COC(O6)C(O)C(C(C6C)O)O)O)O)O)C4=O)OC(O2)C(C(C(O)C2CO)O)OC(C(O)1)OC(C(O)C1O)CO M END
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