Mol:FL4D1CGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -3.4999 -0.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7856 -1.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0715 -0.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0715 -0.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7856 0.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4999 -0.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3572 -1.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6429 -0.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6429 -0.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3572 0.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3572 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1519 0.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8769 -0.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6020 0.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6020 1.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8769 1.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1519 1.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1179 0.2544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0009 -1.7549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3270 1.5269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8769 2.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2604 -1.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8478 -1.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6411 -1.6075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4391 -1.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0708 -1.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0585 -1.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4957 -1.2233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6338 -0.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6970 -1.2698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1382 -1.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1179 -2.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 6 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 6 18 1 0 0 0 0 8 19 1 1 0 0 0 15 20 1 0 0 0 0 16 21 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 23 19 1 0 0 0 0 31 32 1 0 0 0 0 25 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 35 M SMT 1 CH2OH M SBV 1 35 -0.6990 -0.0358 S SKP 5 ID FL4D1CGS0001 FORMULA C21H22O11 EXACTMASS 450.116211546 AVERAGEMASS 450.39278 SMILES C(C1OC(C2=O)C(c(c4)cc(c(O)c4)O)Oc(c3)c(ccc(O)3)2)(O)C(O)C(O)C(O1)CO M END