Mol:FL5FCAGI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 57 62 0 0 0 0 0 0 0 0999 V2000 2.1407 1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4263 2.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4262 3.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1407 3.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8552 3.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8552 2.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7118 1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0027 2.4062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7172 1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7172 1.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0027 0.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7118 1.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4316 2.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1461 1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1461 1.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4316 0.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0027 0.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4586 3.5796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3209 0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4316 0.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4316 3.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0349 3.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0349 4.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3716 4.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7219 4.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6063 -1.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2135 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5214 -0.8293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1766 -0.3275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3567 -0.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0487 -0.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 -1.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3694 -0.7540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9635 -2.1290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3043 -2.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3958 -0.7482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9119 -2.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9119 -2.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7279 -2.5921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -1.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2772 -1.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7279 -2.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 -1.3865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8081 -3.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6648 -4.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2027 -3.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5432 -3.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -2.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0621 -3.2216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0479 -3.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 -4.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3922 -4.5864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3140 -4.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8148 2.3798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4586 2.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9119 -0.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4061 -0.5916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 11 17 2 0 0 0 0 5 18 1 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 13 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 26 27 1 1 0 0 0 27 28 1 1 0 0 0 29 28 1 1 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 26 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 26 34 1 0 0 0 0 27 35 1 0 0 0 0 28 36 1 0 0 0 0 42 37 1 1 0 0 0 41 37 1 1 0 0 0 40 42 1 1 0 0 0 37 38 1 0 0 0 0 42 39 1 0 0 0 0 43 40 1 0 0 0 0 41 43 1 0 0 0 0 33 40 1 0 0 0 0 29 19 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 44 1 0 0 0 0 47 50 1 0 0 0 0 46 51 1 0 0 0 0 45 52 1 0 0 0 0 44 53 1 0 0 0 0 48 35 1 0 0 0 0 54 55 1 0 0 0 0 14 54 1 0 0 0 0 56 57 1 0 0 0 0 37 56 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 54 55 M SBL 1 1 60 M SMT 1 ^ OCH3 M SBV 1 60 0.6687 -0.3861 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 56 57 M SBL 2 1 62 M SMT 2 CH2OH M SBV 2 62 0.0000 -1.1282 S SKP 5 ID FL5FCAGI0001 FORMULA C38H48O19 EXACTMASS 808.278979354 AVERAGEMASS 808.77632 SMILES OC(C5COC(O6)C(O)C(C6)(O)CO)C(C(O)C(O5)OC(C(=O)2)=C(c(c4)ccc(O)c4)Oc(c(CC=C(C)C)3)c(c(cc3OC)O)2)OC(O1)C(C(O)C(C1C)O)O M END