Mol:FL3FABCS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -1.7741 0.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7741 0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0593 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3446 0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3446 0.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0593 1.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3702 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 0.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3702 1.2409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3702 -1.0532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4886 1.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0593 -1.2348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8789 1.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6322 0.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3854 1.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3854 2.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6322 2.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8789 2.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1018 0.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6568 -0.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0162 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3486 -0.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8472 0.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5016 -0.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6184 -0.1142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3078 -0.4893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 -0.7813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5360 -1.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8704 -2.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2272 -1.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5802 -2.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2457 -1.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8889 -1.6120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2590 -1.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2906 -1.9469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6731 -2.4854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5802 -2.5719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0322 0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0561 0.7597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1380 2.5716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0561 2.0416 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 1 12 1 0 0 0 0 3 13 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 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 14 9 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 29 1 0 0 0 0 29 35 1 0 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 33 28 1 0 0 0 0 23 2 1 0 0 0 0 39 40 1 0 0 0 0 25 39 1 0 0 0 0 41 42 1 0 0 0 0 17 41 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 39 40 M SBL 1 1 44 M SMT 1 ^CH2OH M SBV 1 44 0.5305 -0.5518 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 41 42 M SBL 2 1 46 M SMT 2 OCH3 M SBV 2 46 -0.7527 -0.4345 S SKP 5 ID FL3FABCS0004 FORMULA C28H32O14 EXACTMASS 592.179205732 AVERAGEMASS 592.54528 SMILES OC(C1OC(C5O)C(OC(C(O)5)CO)c(c4O)c(O)cc(c24)OC(c(c3)ccc(OC)c3)=CC2=O)C(O)C(C(O1)C)O M END