Mol:Ginsenoside Rg1
From Metabolomics.JP
ACD/Labs11100715102D 61 66 0 0 1 0 0 0 0 0 1 V2000 15.8706 -15.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8706 -16.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7187 -17.5304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1743 -15.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1743 -16.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0224 -14.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0224 -17.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4780 -15.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4780 -16.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3261 -14.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3261 -17.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6299 -13.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6299 -14.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4780 -12.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3262 -13.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9336 -13.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9336 -14.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7817 -12.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7816 -9.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9334 -8.9094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6298 -8.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4781 -9.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3263 -8.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1744 -9.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0227 -8.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1744 -10.9043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7675 -8.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0853 -9.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3889 -9.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3889 -10.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2370 -8.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2370 -11.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0853 -10.9044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3889 -13.5644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2372 -12.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7915 -18.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2693 -18.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0526 -16.2244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1743 -14.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4780 -14.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4779 -11.5454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6299 -12.2104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6055 -16.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9034 -12.2344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.2370 -7.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.5407 -8.9094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.5407 -11.5694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3120 -16.1763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3260 -18.8604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4780 -19.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7817 -19.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7817 -20.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6298 -18.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6298 -21.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4780 -20.8554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9336 -21.5204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7817 -23.5154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6299 -22.8504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9335 -18.8603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6297 -17.5304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3402 -20.1503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 1 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 0 0 0 0 2 1 1 0 0 0 0 9 8 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 4 1 0 0 0 0 14 12 1 0 0 0 0 8 13 1 0 0 0 0 15 14 1 0 0 0 0 10 8 1 0 0 0 0 10 15 1 0 0 0 0 17 16 1 0 0 0 0 18 16 1 0 0 0 0 12 18 1 0 0 0 0 13 12 1 0 0 0 0 18 19 1 0 0 0 0 13 17 1 0 0 0 0 19 20 1 0 0 0 0 21 19 1 0 0 0 0 22 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 19 27 1 1 0 0 0 28 20 1 1 0 0 0 30 29 1 0 0 0 0 31 29 1 0 0 0 0 28 31 1 0 0 0 0 33 32 1 0 0 0 0 33 28 1 0 0 0 0 32 30 1 0 0 0 0 35 34 1 0 0 0 0 32 35 1 1 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 5 38 1 6 0 0 0 4 39 1 1 0 0 0 8 40 1 1 0 0 0 14 41 1 1 0 0 0 12 42 1 1 0 0 0 13 43 1 6 0 0 0 18 44 1 6 0 0 0 31 45 1 6 0 0 0 29 46 1 1 0 0 0 30 47 1 6 0 0 0 10 48 1 6 0 0 0 11 9 1 0 0 0 0 49 50 1 0 0 0 0 11 49 1 6 0 0 0 52 51 1 0 0 0 0 53 51 1 0 0 0 0 50 53 1 0 0 0 0 55 54 1 0 0 0 0 55 50 1 0 0 0 0 52 56 1 6 0 0 0 54 52 1 0 0 0 0 58 57 1 0 0 0 0 54 58 1 1 0 0 0 51 59 1 1 0 0 0 53 60 1 6 0 0 0 50 61 1 6 0 0 0 S SKP 5 ID Ginsenoside Rg1 FORMULA C42H72O14 EXACTMASS 800.492207012 AVERAGEMASS 801.01268 SMILES C(C6)(C32C)([H])C(C(C)(C4(C(O)6)[H])CCC(C(OC(C(O)5)OC(CO)C(C5O)O)(C)CCC=C(C)C)([H])4)(CC(C2(C(C(CC3)O)(C)C)[H])OC([H])(O1)C(C(O)C(O)C(CO)1)O)C M END
