Mol:FL7AAIGL0028
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 62 67 0 0 0 0 0 0 0 0999 V2000 -0.2949 0.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4497 1.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4497 2.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2949 2.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0393 2.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0393 1.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1941 0.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9387 1.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9387 2.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1941 2.6188 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 2.6479 2.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3596 2.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0713 2.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0713 3.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3596 3.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6479 3.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8104 3.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6484 2.5407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2949 0.3360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7636 0.8787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3777 4.5016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9626 5.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8467 2.2478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5431 2.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0214 -1.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1239 -1.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4480 -0.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4866 -0.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 -0.1017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0601 -0.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5058 -0.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3742 -0.9178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5470 -1.7043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9319 -1.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5191 -1.1272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9958 0.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0352 0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9339 -0.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4766 -1.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4372 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5385 -0.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2663 0.8067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3617 -0.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7071 -1.7515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1834 -1.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1627 -2.4953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7570 -3.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5690 -4.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3914 -4.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3944 -4.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5826 -3.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7601 -3.7555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5722 -4.7848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1957 -5.0866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1100 -4.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8766 -4.7147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0434 -0.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0434 0.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6597 -0.8872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2032 -0.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7071 -0.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2032 0.1088 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 2 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 3 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 14 17 1 0 0 0 0 5 18 1 0 0 0 0 1 19 1 0 0 0 0 8 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 13 23 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 1 0 0 0 26 27 1 1 0 0 0 28 27 1 1 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 25 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 19 28 1 0 0 0 0 25 33 1 0 0 0 0 26 34 1 0 0 0 0 27 35 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 1 0 0 0 39 38 1 1 0 0 0 40 39 1 1 0 0 0 40 41 1 0 0 0 0 41 36 1 0 0 0 0 20 37 1 0 0 0 0 36 42 1 0 0 0 0 41 43 1 0 0 0 0 40 44 1 0 0 0 0 39 45 1 0 0 0 0 45 46 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 1 0 0 0 50 49 1 1 0 0 0 51 50 1 1 0 0 0 51 52 1 0 0 0 0 52 47 1 0 0 0 0 46 51 1 0 0 0 0 50 53 1 0 0 0 0 49 54 1 0 0 0 0 47 55 1 0 0 0 0 48 56 1 0 0 0 0 32 57 1 0 0 0 0 57 58 2 0 0 0 0 57 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 62 2 0 0 0 0 M CHG 1 10 1 S SKP 5 ID FL7AAIGL0028 FORMULA C38H47O24 EXACTMASS 887.245727432 AVERAGEMASS 887.76538 SMILES C(CC(O)=O)(OCC(O1)C(O)C(C(O)C1Oc(c2)c(c4)c([o+1]c(c(OC(C5O)OC(COC(C6O)OC(C)C(C6O)O)C(C5O)O)4)c(c3)cc(c(c(OC)3)O)OC)cc2O)O)=O M END
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