Mol:FL5FADGL0022
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 54 59 0 0 0 0 0 0 0 0999 V2000 -2.8250 0.8985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 0.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1105 -0.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3961 0.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3961 0.8985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1105 1.3110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6817 -0.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0327 0.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0327 0.8985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6817 1.3110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6817 -0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7469 1.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 0.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2032 1.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2032 2.1516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4751 2.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7469 2.1516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5391 1.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7879 -0.3860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1105 -1.1636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 2.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 -1.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4365 -1.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 -1.8683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4365 -2.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 -3.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9475 -2.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1583 -0.7315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4591 -2.7935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1451 -3.7226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 -3.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1641 -4.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3963 -4.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 -3.6887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9106 -2.9067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6786 -2.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 -3.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7087 -2.2023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1695 -2.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9491 -3.1492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7290 -4.4010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2653 -3.8860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4797 -1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4113 -1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -0.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5129 -0.0602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6843 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2508 -0.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0882 -0.3590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9647 -2.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4837 -2.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5391 -1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4692 3.2486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0360 4.4010 0.0000 C 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 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 15 1 0 0 0 0 22 23 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 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 25 31 1 0 0 0 0 23 19 1 0 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 1 0 0 0 37 32 1 1 0 0 0 36 38 1 0 0 0 0 35 39 1 0 0 0 0 37 40 1 0 0 0 0 32 41 1 0 0 0 0 33 42 1 0 0 0 0 42 31 1 0 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 47 1 0 0 0 0 47 48 1 1 0 0 0 48 43 1 1 0 0 0 48 49 1 0 0 0 0 43 50 1 0 0 0 0 44 51 1 0 0 0 0 45 52 1 0 0 0 0 47 28 1 0 0 0 0 53 54 1 0 0 0 0 16 53 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 53 54 M SBL 1 1 59 M SMT 1 OCH3 M SBV 1 59 0.0059 -0.6766 S SKP 5 ID FL5FADGL0022 FORMULA C34H42O20 EXACTMASS 770.226943784 AVERAGEMASS 770.6852799999999 SMILES C(C(O)1)(C(O)C(C)OC1OC(C3OC(=C5c(c6)cc(OC)c(O)c6)C(=O)c(c(O5)4)c(cc(c4)O)O)C(C(C(O3)COC(O2)C(O)C(C(C2C)O)O)O)O)O M END