Mol:FL5FAAGL0060
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 65 71 0 0 0 0 0 0 0 0999 V2000 -1.8272 -0.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8272 -1.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1128 -1.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3983 -1.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3983 -0.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1128 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3162 -1.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0306 -1.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0306 -0.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3162 -0.1093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3162 -2.4871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7448 -0.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4729 -0.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2011 -0.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2011 0.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4729 1.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7448 0.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5414 -0.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1128 -2.4459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9427 1.1638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9426 -1.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 -1.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3139 -1.7453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0920 -1.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4944 -1.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7209 -1.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1423 -1.3985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1696 -0.8781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1553 -1.4365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8239 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7147 -3.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5175 -3.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1033 -3.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7903 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0546 -2.7193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4460 -3.3227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7824 -4.1228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9595 -3.4029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2519 -2.3227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8802 -1.8269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4301 -0.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8619 -0.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0438 -0.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2543 -0.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8279 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5438 -0.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2566 -0.3924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6225 -0.7932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3054 -0.8889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1032 3.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3933 3.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3267 2.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9133 1.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6231 2.0385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6899 2.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2038 4.1228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6435 3.9109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4903 2.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1909 -3.9320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6514 -3.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0988 -3.9811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2476 2.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4773 3.3093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 0.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4773 0.7265 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 3 19 1 0 0 0 0 20 15 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 26 28 1 0 0 0 0 25 29 1 0 0 0 0 24 30 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 32 37 1 0 0 0 0 33 38 1 0 0 0 0 34 39 1 0 0 0 0 39 30 1 0 0 0 0 22 40 1 0 0 0 0 40 8 1 0 0 0 0 41 42 1 1 0 0 0 42 43 1 1 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 41 1 0 0 0 0 41 47 1 0 0 0 0 42 48 1 0 0 0 0 43 49 1 0 0 0 0 44 18 1 0 0 0 0 50 51 1 1 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 50 1 0 0 0 0 50 56 1 0 0 0 0 51 57 1 0 0 0 0 52 58 1 0 0 0 0 20 53 1 0 0 0 0 31 59 1 0 0 0 0 60 61 1 0 0 0 0 36 60 1 0 0 0 0 62 63 1 0 0 0 0 55 62 1 0 0 0 0 64 65 1 0 0 0 0 46 64 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 60 61 M SBL 1 1 67 M SMT 1 ^ CH2OH M SBV 1 67 0.7947 -0.3016 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 62 63 M SBL 2 1 69 M SMT 2 CH2OH M SBV 2 69 -0.5577 -0.1827 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 64 65 M SBL 3 1 71 M SMT 3 ^ CH2OH M SBV 3 71 0.7063 -0.6153 S SKP 5 ID FL5FAAGL0060 FORMULA C39H50O26 EXACTMASS 934.2590317720001 AVERAGEMASS 934.7987 SMILES c(c6OC(O7)C(C(O)C(C(CO)7)O)O)cc(cc6)C(O1)=C(OC(O4)C(C(O)C(O)C4COC(C(O)5)OC(C(O)C(O)5)CO)O)C(c(c(O)2)c1cc(OC(O3)C(O)C(C(O)C3CO)O)c2)=O M END