Mrv0541 05061312022D 67 73 0 0 0 0 999 V2000 1.2250 -1.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -2.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5101 -3.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2034 -2.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2034 -1.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2034 -1.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9184 -1.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6319 -1.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6319 -2.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3468 -3.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0618 -2.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0618 -1.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3468 -1.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3468 -0.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6319 -0.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9184 -0.7073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5101 -1.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5101 -0.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -0.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 0.5300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 -0.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7237 -0.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2090 -1.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7237 -1.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 -1.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0256 -2.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2951 2.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0408 1.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2338 1.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9795 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7632 0.0763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 -3.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9184 -3.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3876 -3.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1944 0.5864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0225 1.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6357 1.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4208 1.6903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9087 2.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1019 2.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2742 1.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9296 3.0518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7755 -3.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4904 -2.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2053 -3.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9189 -2.7698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2053 -1.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4904 -1.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7755 -1.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7755 -0.7073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0618 -0.2949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0618 0.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7755 0.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7755 1.7674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3468 1.7674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3468 0.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6319 0.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9184 0.9424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2388 1.6491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0669 2.4548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2819 2.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 3.5177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5083 3.8146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6802 3.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4638 2.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0771 3.3046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2187 -1.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 25 1 0 0 0 0 1 67 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 6 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 17 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 9 33 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 49 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 51 1 0 0 0 0 15 16 1 0 0 0 0 15 57 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 30 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 27 28 2 0 0 0 0 27 40 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 59 1 0 0 0 0 37 38 1 0 0 0 0 37 65 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 44 48 1 0 0 0 0 45 46 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 52 56 1 0 0 0 0 53 54 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 64 1 0 0 0 0 61 62 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 M END > CHEM032886 > chemdb > CC(C)(O)\C=C\CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C > InChI=1S/C48H82O19/c1-43(2,61)13-9-14-48(8,67-41-38(60)35(57)32(54)25(20-50)63-41)22-10-16-47(7)30(22)23(52)18-28-45(5)15-12-29(44(3,4)27(45)11-17-46(28,47)6)65-42-39(36(58)33(55)26(21-51)64-42)66-40-37(59)34(56)31(53)24(19-49)62-40/h9,13,22-42,49-61H,10-12,14-21H2,1-8H3/b13-9+ > IAEZLXLDZBZQPU-UKTHLTGXSA-N > C48H82O19 > 963.1533 > 962.545030442 > 19 > 103.84581926588278 > 0 > 13 > 0 > 0 > 2-{[(4E)-2-(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-16-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-6-hydroxy-6-methylhept-4-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0.01 > -1.0521185323333322 > -3.31 > 1 > 7 > 0 > 12.313259367114615 > 11.847203750817105 > -3.6483775957536517 > 318.37 > 236.42450000000014 > 13 > 0 > 4.76e-01 g/l > 2-{[(4E)-2-(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-16-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-6-hydroxy-6-methylhept-4-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > Ginsenoside M6a > 93376-72-8 > Vinaginsenoside R8 $$$$