Mol:FL7AAAGA0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 52 57 0 0 0 0 0 0 0 0999 V2000 -2.0324 1.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0324 0.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3919 0.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7514 0.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7514 1.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3919 1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1109 0.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5296 0.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5296 1.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1109 1.5966 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.1699 1.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8227 1.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4754 1.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4754 2.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8227 2.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1699 2.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1281 2.7270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6727 1.5965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3919 -0.6219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2566 0.1144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2996 -0.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7060 -1.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8511 -1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0261 -1.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6255 -0.4550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3735 -0.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9537 -0.8214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4843 -1.2787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0917 -1.6396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3694 -1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 -1.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7814 -1.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6449 -1.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1545 -1.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2329 -1.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6470 -1.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 0.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8756 -0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 0.1117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5974 -0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0439 0.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1855 0.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6195 0.5589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4784 0.7987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9365 1.2636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3346 0.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8668 -0.4084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2234 -1.7231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1870 -2.3992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6449 -2.7272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0584 -0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1545 0.2087 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 8 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 19 1 0 0 0 0 30 31 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 30 1 0 0 0 0 30 36 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 1 0 0 0 39 40 1 1 0 0 0 41 40 1 1 0 0 0 41 42 1 0 0 0 0 42 37 1 0 0 0 0 37 43 1 0 0 0 0 42 44 1 0 0 0 0 41 45 1 0 0 0 0 40 46 1 0 0 0 0 34 47 1 0 0 0 0 46 47 1 0 0 0 0 31 48 1 0 0 0 0 32 49 1 0 0 0 0 33 50 1 0 0 0 0 38 20 1 0 0 0 0 51 52 1 0 0 0 0 26 51 1 0 0 0 0 M CHG 1 10 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 51 52 M SBL 1 1 57 M SMT 1 ^ CH2OH M SBV 1 57 0.6850 -0.7059 S SKP 5 ID FL7AAAGA0005 FORMULA C33H41O19 EXACTMASS 741.22420413 AVERAGEMASS 741.66724 SMILES C(O)C(C6O)OC(C(C6O)O)Oc(c41)cc(cc([o+1]c(c(c5)ccc(c5)O)c(c4)OC(O2)C(O)C(O)C(C(COC(C3O)OC(C(O)C(O)3)C)2)O)1)O M END