Mol:Ginsenoside Rc
From Metabolomics.JP
ACD/Labs12010713382D 81 88 0 0 1 0 0 0 0 0 1 V2000 20.6050 -17.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6050 -18.6600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4531 -16.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4531 -19.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3014 -17.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3014 -18.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4531 -20.6549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3012 -21.3198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1496 -19.3249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7570 -16.6650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7570 -13.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9089 -11.3851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9089 -12.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7570 -10.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6052 -11.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6052 -12.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2126 -11.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2126 -12.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0607 -13.3801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5163 -11.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5163 -12.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3644 -10.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3644 -13.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8200 -11.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8200 -12.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6681 -10.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6681 -13.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9719 -9.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9719 -10.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8200 -8.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6682 -9.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2756 -9.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2756 -10.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1237 -8.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1236 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2754 -4.7591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.9718 -4.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8201 -5.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6683 -4.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5164 -5.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3647 -4.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5164 -6.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1095 -4.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4273 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7309 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7309 -6.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.5790 -4.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.5790 -7.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4273 -6.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.7309 -9.4141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.5792 -8.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7309 -10.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1495 -16.6650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4531 -15.3350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7267 -18.0030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4534 -13.3800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4534 -10.7201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7570 -9.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6052 -8.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9089 -14.0451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1335 -14.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6113 -14.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9008 -14.0451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5163 -10.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8200 -10.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8199 -7.3951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.9719 -8.0601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.9475 -12.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2454 -8.0841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.5790 -3.4291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.8827 -4.7591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.8827 -7.4191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6540 -12.0260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.6542 -11.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.0641 -12.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.8062 -11.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.3943 -12.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0714 -11.1169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.1752 -13.8680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.2814 -13.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9588 -13.7254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 5 1 0 0 0 0 4 7 1 6 0 0 0 6 4 1 0 0 0 0 8 7 1 0 0 0 0 6 9 1 1 0 0 0 1 10 1 0 0 0 0 3 1 1 0 0 0 0 10 11 1 6 0 0 0 14 12 1 0 0 0 0 11 13 1 0 0 0 0 16 11 1 0 0 0 0 16 15 1 0 0 0 0 18 19 1 1 0 0 0 13 19 1 0 0 0 0 13 12 1 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 18 17 1 0 0 0 0 25 24 1 0 0 0 0 27 25 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 21 20 1 0 0 0 0 30 28 1 0 0 0 0 24 29 1 0 0 0 0 31 30 1 0 0 0 0 26 24 1 0 0 0 0 26 31 1 0 0 0 0 33 32 1 0 0 0 0 34 32 1 0 0 0 0 28 34 1 0 0 0 0 29 28 1 0 0 0 0 34 35 1 0 0 0 0 29 33 1 0 0 0 0 35 36 1 0 0 0 0 37 35 1 0 0 0 0 38 37 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 35 43 1 1 0 0 0 44 36 1 1 0 0 0 46 45 1 0 0 0 0 47 45 1 0 0 0 0 44 47 1 0 0 0 0 49 48 1 0 0 0 0 49 44 1 0 0 0 0 48 46 1 0 0 0 0 51 50 1 0 0 0 0 48 51 1 1 0 0 0 52 50 1 1 0 0 0 5 53 1 6 0 0 0 3 54 1 1 0 0 0 1 55 1 1 0 0 0 16 56 1 1 0 0 0 14 58 1 1 0 0 0 59 58 1 0 0 0 0 15 14 1 0 0 0 0 15 57 1 6 0 0 0 13 60 1 6 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 21 63 1 6 0 0 0 20 64 1 1 0 0 0 24 65 1 1 0 0 0 30 66 1 1 0 0 0 28 67 1 1 0 0 0 29 68 1 6 0 0 0 34 69 1 6 0 0 0 47 70 1 6 0 0 0 45 71 1 1 0 0 0 46 72 1 6 0 0 0 26 73 1 6 0 0 0 52 74 1 0 0 0 0 75 74 1 0 0 0 0 76 52 1 0 0 0 0 77 75 1 0 0 0 0 77 76 1 0 0 0 0 76 78 1 6 0 0 0 77 79 1 1 0 0 0 75 80 1 6 0 0 0 80 81 1 0 0 0 0 S SKP 5 ID Ginsenoside Rc FORMULA C53H90O22 EXACTMASS 1078.592374564 AVERAGEMASS 1079.2685000000001 SMILES C(C8)(C(C(C)3C(C([H])78)(CCC(C74C)([H])C(C)(C)C(OC([H])(C5OC([H])(O6)C(C(C(O)C(CO)6)O)O)OC(C(O)C5O)CO)CC4)C)(C(CC3)([H])C(CCC=C(C)C)(OC(O1)C(C(O)C(C1COC(C(O)2)OC(CO)C2O)O)O)C)[H])O M END
