Mol:FL7AAGGL0044
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 60 65 0 0 0 0 0 0 0 0999 V2000 0.1290 1.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8434 0.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5579 0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5579 1.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8434 1.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2724 0.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9868 0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9868 1.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2724 1.6699 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 3.7634 1.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4778 1.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1923 1.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1923 2.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4778 2.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 2.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8325 2.9003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8453 -0.0633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 1.5922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8434 -0.7428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4778 3.6744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8573 1.3218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2671 -1.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9989 -1.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5602 -1.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3514 -1.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6196 -0.6564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0582 -1.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5508 -1.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7903 -1.9585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3589 -2.1077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5442 -1.5140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8256 -1.3445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1580 -2.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7453 -3.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5388 -2.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3371 -3.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7499 -2.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9563 -2.5298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3531 -3.6744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0536 -3.5056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2284 -2.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5458 -2.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0724 0.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3406 0.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7793 0.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9881 0.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7199 1.2287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2813 0.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8964 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3842 -0.2177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8348 -0.2239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0221 0.2886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1377 -2.0590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1418 -1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8573 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4303 -0.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4344 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1499 0.4126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7229 0.4197 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 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 8 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 15 21 1 0 0 0 0 13 22 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 28 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 26 18 1 0 0 0 0 33 29 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 1 0 0 0 37 36 1 1 0 0 0 38 37 1 1 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 37 40 1 0 0 0 0 36 41 1 0 0 0 0 35 42 1 0 0 0 0 34 43 1 0 0 0 0 38 32 1 0 0 0 0 44 45 1 1 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 44 1 0 0 0 0 49 50 1 0 0 0 0 44 51 1 0 0 0 0 45 52 1 0 0 0 0 46 53 1 0 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 58 60 1 0 0 0 0 60 50 1 0 0 0 0 19 47 1 0 0 0 0 M CHG 1 10 1 S SKP 5 ID FL7AAGGL0044 FORMULA C36H43O24 EXACTMASS 859.2144273040001 AVERAGEMASS 859.71222 SMILES c(c5)(OC(C6O)OC(C(O)C(O)6)COC(=O)CC(O)=O)cc(c(c51)cc(OC(O4)C(C(C(O)C4CO)O)OC(C(O)3)OC(C)C(O)C3O)c(c(c2)cc(O)c(c2O)O)[o+1]1)O M END