Mol:20-Glucoginsenoside-Rf
From Metabolomics.JP
ACD/Labs02120815262D 67 73 0 0 1 0 0 0 0 0 1 V2000 20.8143 -6.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1442 -6.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8003 -5.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1404 -5.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7965 -3.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1264 -3.9061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1319 -7.5394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8036 -2.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6553 -1.9152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1062 -6.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8190 -4.8898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9295 -20.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2594 -20.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9155 -19.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2556 -19.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9117 -18.6265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2416 -18.6163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2471 -22.2496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4460 -4.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7218 -8.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7218 -9.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6758 -9.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6299 -9.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6299 -8.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6758 -7.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5839 -9.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5380 -9.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5380 -8.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5839 -7.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4921 -7.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4921 -6.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5380 -6.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5839 -6.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4002 -7.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4002 -6.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4461 -6.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5380 -7.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6299 -7.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1250 -10.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2266 -10.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7677 -9.9405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4921 -8.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5039 -5.1116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5838 -11.2705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5544 -16.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8843 -16.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5404 -14.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8805 -14.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5366 -13.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8665 -13.7930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8730 -16.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5303 -12.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5476 -14.7767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3754 -11.8137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8720 -17.4263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.5979 -4.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7497 -4.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9015 -4.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0533 -4.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2051 -4.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0533 -6.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2942 -4.0897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4654 -3.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9188 -17.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7705 -16.6254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2214 -21.1129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9342 -19.6000 0.0000 O 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 5 1 0 0 0 0 9 8 1 0 0 0 0 10 4 1 0 0 0 0 11 1 1 0 0 0 0 15 12 1 0 0 0 0 13 12 1 0 0 0 0 16 15 1 0 0 0 0 14 13 1 0 0 0 0 17 16 1 0 0 0 0 17 14 1 0 0 0 0 18 13 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 24 1 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 33 29 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 28 37 1 1 0 0 0 24 38 1 1 0 0 0 22 39 1 6 0 0 0 22 40 1 1 0 0 0 21 41 1 1 0 0 0 30 42 1 6 0 0 0 32 31 1 0 0 0 0 30 34 1 0 0 0 0 32 43 1 1 0 0 0 26 44 1 6 0 0 0 48 45 1 0 0 0 0 46 45 1 0 0 0 0 49 48 1 0 0 0 0 47 46 1 0 0 0 0 50 49 1 0 0 0 0 50 47 1 0 0 0 0 51 48 1 0 0 0 0 52 49 1 0 0 0 0 53 45 1 0 0 0 0 52 54 1 0 0 0 0 55 46 1 0 0 0 0 44 47 1 0 0 0 0 19 36 1 0 0 0 0 14 55 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 19 56 1 0 0 0 0 19 62 1 1 0 0 0 19 63 1 6 0 0 0 64 16 1 0 0 0 0 65 64 1 0 0 0 0 66 15 1 0 0 0 0 67 12 1 0 0 0 0 3 62 1 0 0 0 0 S SKP 5 ID 20-Glucoginsenoside-Rf FORMULA C48H82O19 EXACTMASS 962.545030442 AVERAGEMASS 963.15328 SMILES C(OC(C4)C(C(C)(C)3)C(C)(C(C7)C4(C(C(C7O)5)(C)CCC5C(C)(CCC=C(C)C)OC(C(O)6)OC(CO)C(O)C6O)C)CCC3O)(C1OC(O2)C(C(C(O)C2CO)O)O)OC(CO)C(C1O)O M END
