Mrv0541 02241217382D 67 73 0 0 0 0 999 V2000 -2.2660 -0.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 -1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5538 -1.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8415 -1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8415 -0.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5538 0.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1279 -1.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5842 -1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5842 -0.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1279 0.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2938 0.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2938 0.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5842 1.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1279 0.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0735 -0.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5479 0.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0735 1.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9664 -2.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1413 -2.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0735 1.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7885 2.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5048 1.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2212 2.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9377 1.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6541 2.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9377 1.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8415 0.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5842 0.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3007 -1.6164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9825 -1.6164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5513 2.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0735 2.7493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2938 -0.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3571 2.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0735 3.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7872 3.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7872 4.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0735 5.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3585 4.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3585 3.9910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6435 5.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0714 4.8174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0735 6.0509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5008 5.2313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5022 3.5798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3950 -2.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2201 -2.3520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6160 -3.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1870 -3.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3620 -3.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9673 -3.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4410 -3.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6541 -2.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5996 -4.4971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1423 -3.0767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9495 -4.4971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5593 -3.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7710 -4.4572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1867 -5.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3905 -4.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1802 -4.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7659 -3.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3998 -5.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1973 -6.0509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5527 -2.6518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6173 -3.8164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1924 -5.4087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 7 2 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 27 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 20 34 1 0 0 0 0 21 22 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 30 46 1 0 0 0 0 32 35 1 0 0 0 0 35 36 1 0 0 0 0 35 40 1 0 0 0 0 36 37 1 0 0 0 0 36 45 1 0 0 0 0 37 38 1 0 0 0 0 37 44 1 0 0 0 0 38 39 1 0 0 0 0 38 43 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 46 47 1 0 0 0 0 46 51 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 48 52 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 50 51 1 0 0 0 0 50 56 1 0 0 0 0 51 55 1 0 0 0 0 52 53 1 0 0 0 0 55 57 1 0 0 0 0 57 58 1 0 0 0 0 57 62 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 59 63 1 0 0 0 0 60 61 1 0 0 0 0 60 67 1 0 0 0 0 61 62 1 0 0 0 0 61 66 1 0 0 0 0 62 65 1 0 0 0 0 63 64 1 0 0 0 0 M END > CHEM024926 > chemdb > CC(C)=CCCC(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)C3=CC(O)C21C > InChI=1S/C48H80O19/c1-21(2)10-9-13-47(7,67-42-39(61)36(58)33(55)25(19-50)63-42)22-11-15-46(6)31(22)23(52)16-28-45(5)14-12-30(44(3,4)27(45)17-29(53)48(28,46)8)65-43-40(37(59)34(56)26(20-51)64-43)66-41-38(60)35(57)32(54)24(18-49)62-41/h10,17,22-26,28-43,49-61H,9,11-16,18-20H2,1-8H3 > BJTRHGSEMPBIPZ-UHFFFAOYSA-N > C48H80O19 > 961.1374 > 960.529380378 > 19 > 104.13619921635447 > 0 > 13 > 0 > 0 > 2-{[2-(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9,16-dihydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl)-6-methylhept-5-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0.36 > -1.2610522203333314 > -2.96 > 1 > 7 > 0 > 12.313264649641003 > 11.847210085818785 > -3.6483775957536517 > 318.37 > 236.68730000000008 > 13 > 0 > 1.05e+00 g/l > 2-{[2-(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9,16-dihydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl)-6-methylhept-5-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > Notoginsenoside G > 193976-63-5 $$$$