Mol:FL4DAHGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -4.2902 -1.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5862 -1.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8823 -1.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8823 -0.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5862 -0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2902 -0.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1783 -1.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4744 -1.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4744 -0.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1783 -0.0959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1783 -2.4296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6909 -0.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0236 -0.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7381 -0.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7381 0.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0236 1.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6909 0.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8991 -0.1142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7371 -1.7453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4526 1.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5862 -2.5336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0249 1.8811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6160 2.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7404 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7336 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4697 0.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3454 1.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3522 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5187 2.5336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1056 1.9437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8991 0.9143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2302 0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 -0.5479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6470 -1.2237 0.0000 C 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 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 6 18 1 0 0 0 0 8 19 1 0 0 0 0 15 20 1 0 0 0 0 2 21 1 0 0 0 0 16 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 20 24 1 0 0 0 0 25 29 1 0 0 0 0 28 30 1 0 0 0 0 27 31 1 0 0 0 0 26 32 1 0 0 0 0 33 34 1 0 0 0 0 14 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 33 34 M SBL 1 1 37 M SMT 1 OCH3 M SBV 1 37 -0.7386 0.4502 S SKP 5 ID FL4DAHGS0001 FORMULA C22H24O12 EXACTMASS 480.126776232 AVERAGEMASS 480.41876 SMILES O(C)c(c2)c(c(cc(C(C3O)Oc(c4)c(c(O)cc4O)C3=O)2)O)OC(O1)C(C(C(O)C1C)O)O M END