Mrv0541 02241210462D 67 73 0 0 0 0 999 V2000 -0.0323 3.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0323 2.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6827 2.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6827 1.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1298 1.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 -0.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 -0.3616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9123 0.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 0.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 0.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 1.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 1.9552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7867 0.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7867 -0.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 -0.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7855 -2.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7855 -1.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5005 -1.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5005 -0.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5005 0.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3964 3.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6827 4.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6827 5.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2155 -0.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9291 -0.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9291 -1.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6442 -1.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7449 -2.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2155 -1.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6847 -2.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3964 1.3448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1114 1.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1114 2.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8264 2.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5401 2.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5401 1.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8264 1.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8264 3.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5401 4.2324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2551 2.9948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2551 1.3448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8264 0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -2.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -3.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 -4.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3569 -3.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3569 -2.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 -2.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7855 -4.2324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 -5.0574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0719 -4.2324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0719 -2.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7869 -2.9948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5005 -2.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5005 -1.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2156 -1.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -1.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -2.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2156 -2.9948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6442 -2.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6442 -3.8198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6442 -1.3448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2156 -0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7869 -1.3448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0557 -0.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 33 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 6 67 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 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 31 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 23 24 1 0 0 0 0 24 25 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 28 31 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 39 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 40 1 0 0 0 0 37 38 1 0 0 0 0 37 42 1 0 0 0 0 38 39 1 0 0 0 0 38 43 1 0 0 0 0 39 44 1 0 0 0 0 40 41 1 0 0 0 0 45 46 1 0 0 0 0 45 50 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 47 52 1 0 0 0 0 48 49 1 0 0 0 0 48 53 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 57 58 1 0 0 0 0 57 66 1 0 0 0 0 58 59 1 0 0 0 0 58 65 1 0 0 0 0 59 60 1 0 0 0 0 59 64 1 0 0 0 0 60 61 1 0 0 0 0 60 62 1 0 0 0 0 62 63 1 0 0 0 0 M END > CHEM033240 > chemdb > CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O > InChI=1S/C48H82O19/c1-21(2)10-9-13-48(8,67-43-39(61)35(57)32(54)26(19-50)65-43)22-11-15-46(6)30(22)23(51)16-28-45(5)14-12-29(52)44(3,4)40(45)24(17-47(28,46)7)63-42-38(60)36(58)33(55)27(66-42)20-62-41-37(59)34(56)31(53)25(18-49)64-41/h10,22-43,49-61H,9,11-20H2,1-8H3 > SXNNDEIXKBANEP-UHFFFAOYSA-N > C48H82O19 > 963.1533 > 962.545030442 > 19 > 103.73407943109108 > 0 > 13 > 0 > 0 > 2-{[2-(5,16-dihydroxy-2,6,6,10,11-pentamethyl-8-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-6-methylhept-5-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0.19 > -1.0893339289999995 > -2.93 > 1 > 7 > 0 > 12.201383958312846 > 11.756395913709586 > -3.648377769780388 > 318.37 > 236.0683000000001 > 13 > 0 > 1.14e+00 g/l > 2-{[2-(5,16-dihydroxy-2,6,6,10,11-pentamethyl-8-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-6-methylhept-5-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > Notoginsenoside M > 394246-74-3 $$$$