Mol:FL5FAIGL0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 57 62 0 0 0 0 0 0 0 0999 V2000 -1.2813 0.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2813 -0.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5669 -0.8741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1476 -0.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1476 0.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5669 0.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 -0.8741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5764 -0.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5764 0.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 0.7758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 -1.5174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2906 0.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0187 0.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7468 0.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7468 1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0187 2.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2906 1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9955 0.7757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3728 -0.9007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5669 -1.6988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3170 -2.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8858 -3.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7149 -2.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5491 -3.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9803 -2.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1511 -2.6490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5396 -2.5424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5322 -0.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1011 -1.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9302 -0.9540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7643 -1.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1956 -0.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3664 -0.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7535 -0.4951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0025 -0.1248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8691 -0.5638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3912 -1.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8047 -1.6287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2457 -3.0050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2376 -3.5476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5491 -3.8864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4478 2.0714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8590 0.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3382 0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5884 0.4742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8070 0.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3907 1.0080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1566 0.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4652 0.5974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1583 0.1117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8275 -0.0214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4343 0.4237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7185 0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0128 2.7340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5797 3.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7273 1.3702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9803 1.6514 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 46 18 1 0 0 0 0 52 53 1 0 0 0 0 14 52 1 0 0 0 0 54 55 1 0 0 0 0 16 54 1 0 0 0 0 56 57 1 0 0 0 0 48 56 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 OCH3 M SBV 1 58 -0.6875 0.3520 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 54 55 M SBL 2 1 60 M SMT 2 OCH3 M SBV 2 60 0.0059 -0.6972 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 56 57 M SBL 3 1 62 M SMT 3 ^ CH2OH M SBV 3 62 0.5707 -0.6373 S SKP 5 ID FL5FAIGL0003 FORMULA C35H44O22 EXACTMASS 816.232423092 AVERAGEMASS 816.71066 SMILES c(OC)(c1)c(c(OC)cc(C(=C4OC(C(O)6)OC(C(O)C(O)6)COC(C5O)OC(C)C(C5O)O)Oc(c(C(=O)4)3)cc(cc(O)3)OC(C(O)2)OC(C(O)C(O)2)CO)1)O M END
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