Mol:FL5FAAGA0047
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 65 71 0 0 0 0 0 0 0 0999 V2000 -3.2290 1.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2290 0.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5145 -0.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7999 0.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7999 1.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5145 1.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0853 -0.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 0.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 1.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0853 1.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0826 -0.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 1.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2573 1.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9853 1.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9853 2.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2573 2.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 2.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5145 -0.9426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7649 2.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8899 1.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4377 -0.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 -1.2433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3624 -0.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5879 -1.6221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3624 -2.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 -2.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8476 -2.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 -0.5033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0214 -2.5828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4255 -3.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3884 -3.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7137 -3.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9278 -3.0632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7137 -2.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3884 -1.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1743 -2.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1216 -1.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7137 -1.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8005 -2.2811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9981 -3.4325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0712 -3.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3674 -2.3866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7415 -2.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5384 -2.5898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7388 -1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5540 -0.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5540 -0.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2723 0.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2723 1.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5540 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8356 1.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8356 0.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5540 2.4769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2564 1.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5818 1.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7959 2.1576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5818 2.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2564 3.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0424 2.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0310 3.8122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5818 3.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6684 2.9605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9074 1.8091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9897 1.6481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9074 1.1183 0.0000 C 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 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 3 18 1 0 0 0 0 19 15 1 0 0 0 0 4 3 1 0 0 0 0 1 20 1 0 0 0 0 21 8 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 26 29 1 0 0 0 0 25 30 1 0 0 0 0 23 21 1 0 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 1 0 0 0 36 31 1 1 0 0 0 35 37 1 0 0 0 0 34 38 1 0 0 0 0 36 39 1 0 0 0 0 31 40 1 0 0 0 0 32 41 1 0 0 0 0 41 30 1 0 0 0 0 27 42 1 0 0 0 0 29 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 47 1 0 0 0 0 50 53 1 0 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 1 0 0 0 59 54 1 1 0 0 0 58 60 1 0 0 0 0 57 61 1 0 0 0 0 59 62 1 0 0 0 0 54 63 1 0 0 0 0 55 20 1 0 0 0 0 64 65 1 0 0 0 0 49 64 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 64 65 M SBL 1 1 71 M SMT 1 OCH3 M SBV 1 71 -0.7174 -0.4142 S SKP 5 ID FL5FAAGA0047 FORMULA C43H48O22 EXACTMASS 916.26372322 AVERAGEMASS 916.82802 SMILES C(C(O)1)(C(O)C(C)OC(OCC(O2)C(OC(C=Cc(c7)cc(OC)c(O)c7)=O)C(O)C(O)C2OC(=C5c(c6)ccc(c6)O)C(c(c4O)c(O5)cc(c4)OC(C(O)3)OC(C)C(O)C(O)3)=O)1)O M END
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