Mol:Ginsenoside Rf
From Metabolomics.JP
(Difference between revisions)
(New page: ACD/Labs02120811312D 56 61 0 0 1 0 0 0 0 0 1 V2000 22.9295 -20.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2594 -20.4069 0.0000 C 0 0 0 0 0...) |
Latest revision as of 10:44, 16 February 2010
ACD/Labs02120811312D 56 61 0 0 1 0 0 0 0 0 1 V2000 22.9295 -20.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2594 -20.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9155 -19.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2556 -19.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9117 -18.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2416 -18.1035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2471 -21.7368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7218 -7.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7218 -8.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6758 -9.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6299 -8.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6299 -7.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6758 -7.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5839 -9.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5380 -8.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5380 -7.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5839 -7.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4921 -7.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4921 -5.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5380 -5.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5839 -5.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4002 -7.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4002 -5.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4461 -5.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5380 -6.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6299 -6.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1250 -10.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2266 -10.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7677 -9.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4921 -8.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5039 -4.4386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5838 -10.5975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5544 -15.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8843 -15.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5404 -14.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8805 -14.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5366 -13.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8665 -13.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8730 -15.6171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5303 -11.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5476 -14.1037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3754 -11.1407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8720 -17.3943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8973 -16.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7383 -16.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2433 -20.6005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9329 -19.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.5979 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7497 -4.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9015 -3.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0533 -4.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2051 -3.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0533 -5.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4460 -4.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2942 -3.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4648 -2.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 2 1 1 0 0 0 0 5 4 1 0 0 0 0 3 2 1 0 0 0 0 6 5 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 8 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 21 17 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 16 25 1 1 0 0 0 12 26 1 1 0 0 0 10 27 1 6 0 0 0 10 28 1 1 0 0 0 9 29 1 1 0 0 0 18 30 1 6 0 0 0 20 19 1 0 0 0 0 18 22 1 0 0 0 0 20 31 1 1 0 0 0 14 32 1 6 0 0 0 36 33 1 0 0 0 0 34 33 1 0 0 0 0 37 36 1 0 0 0 0 35 34 1 0 0 0 0 38 37 1 0 0 0 0 38 35 1 0 0 0 0 39 36 1 0 0 0 0 40 37 1 0 0 0 0 41 33 1 0 0 0 0 40 42 1 0 0 0 0 43 34 1 0 0 0 0 32 35 1 0 0 0 0 3 43 1 0 0 0 0 44 5 1 0 0 0 0 45 44 1 0 0 0 0 46 4 1 0 0 0 0 47 1 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 48 54 1 0 0 0 0 24 54 1 1 0 0 0 54 55 1 1 0 0 0 54 56 1 6 0 0 0 S SKP 5 ID Ginsenoside Rf FORMULA C42H72O14 EXACTMASS 800.492207012 AVERAGEMASS 801.01268 SMILES C(C6)(C(C(C(CCC=C(C)C)(C)O)C6)5)(C(C(CC5O)4)(C)CC(C(C(C)43)C(C(CC3)O)(C)C)OC(C(OC(C2O)OC(CO)C(C2O)O)1)OC(C(C1O)O)CO)C M END
