Mol:FL5FAEGL0004
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 54 59 0 0 0 0 0 0 0 0999 V2000 -1.9782 0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9782 -0.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2672 -0.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5562 -0.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5562 0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2672 0.8913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1548 -0.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8659 -0.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8659 0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1548 0.8913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1548 -1.3909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5766 0.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3013 0.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0259 0.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0259 1.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3013 2.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5766 1.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6890 0.8912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5979 -0.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2672 -1.5715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2239 -2.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7948 -2.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -2.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4501 -2.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8793 -2.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0540 -2.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5108 -2.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5849 -0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1558 -1.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9810 -0.7685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8111 -1.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2403 -0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4150 -0.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7689 -0.2904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9213 0.1314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7505 -0.3978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4136 -0.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7054 -1.3373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2213 -2.6571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0015 -3.2270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4501 -3.5218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3013 2.9829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2024 1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3994 0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6542 1.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3994 2.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2024 2.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9476 2.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8950 3.5218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3994 3.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5242 2.4972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8793 1.1218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6932 2.1119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6063 1.5847 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 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 16 42 1 0 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 1 0 0 0 48 43 1 1 0 0 0 47 49 1 0 0 0 0 46 50 1 0 0 0 0 48 51 1 0 0 0 0 43 52 1 0 0 0 0 44 18 1 0 0 0 0 53 54 1 0 0 0 0 15 53 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 53 54 M SBL 1 1 59 M SMT 1 OCH3 M SBV 1 59 -0.6673 -0.3839 S SKP 5 ID FL5FAEGL0004 FORMULA C34H42O20 EXACTMASS 770.226943784 AVERAGEMASS 770.6852799999999 SMILES C(C(COC(C6O)OC(C)C(C6O)O)1)(C(C(O)C(OC(=C(c(c5)ccc(OC)c5O)4)C(c(c(O4)2)c(cc(OC(C3O)OC(C(C(O)3)O)C)c2)O)=O)O1)O)O M END
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