Mol:FL7AAAGL0050
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 63 69 0 0 0 0 0 0 0 0999 V2000 -2.5767 1.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5767 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8008 0.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0249 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0249 1.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8008 2.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 0.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5269 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5269 1.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 2.2654 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.3025 2.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0933 1.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8841 2.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8841 3.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0933 3.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3025 3.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3523 2.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6746 3.6348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8008 -0.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4180 0.3893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3918 -0.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0177 -1.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7371 -1.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4608 -1.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8158 -0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1156 -1.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6971 -1.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4586 0.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0845 0.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8039 0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5277 0.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9019 0.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1825 0.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7873 0.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6657 1.3097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5366 0.8577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1533 0.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6682 -0.1004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4064 -1.4985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3741 -1.8690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4608 -2.1299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9817 -2.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4688 -3.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1221 -2.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7091 -2.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2891 -2.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6848 -2.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4761 -2.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8718 -2.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4761 -3.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6848 -3.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6619 -2.9496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2106 -1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5336 -1.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8886 -1.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 -1.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8361 -0.8003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3769 -1.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8158 -1.6570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2978 -1.8302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9889 -1.6223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2415 -0.3504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0909 -0.3504 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 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 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 28 29 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 1 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 28 1 0 0 0 0 28 34 1 0 0 0 0 33 35 1 0 0 0 0 32 36 1 0 0 0 0 31 37 1 0 0 0 0 25 38 1 0 0 0 0 37 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 29 20 1 0 0 0 0 39 42 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 46 1 0 0 0 0 49 52 1 0 0 0 0 53 54 1 1 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 53 1 0 0 0 0 53 59 1 0 0 0 0 54 60 1 0 0 0 0 55 61 1 0 0 0 0 56 19 1 0 0 0 0 62 63 1 0 0 0 0 58 62 1 0 0 0 0 M CHG 1 10 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 62 63 M SBL 1 1 69 M SMT 1 ^CH2OH M SBV 1 69 0.8646 -0.9512 S SKP 5 ID FL7AAAGL0050 FORMULA C42H47O21 EXACTMASS 887.2609835659999 AVERAGEMASS 887.80998 SMILES OC(C(O)3)C(C(OC3Oc(c7)c([o+1]c(c57)cc(O)cc5OC(O6)C(C(C(O)C(CO)6)O)O)c(c4)ccc(c4)O)COC(C(O)1)OC(C(OC(=O)C=Cc(c2)ccc(O)c2)C1O)C)O M END