Mrv0541 05061311112D 67 74 0 0 0 0 999 V2000 5.2191 -0.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1585 -0.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4033 -2.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1165 -2.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9322 -5.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2599 -4.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5725 -2.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5454 -2.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8309 -2.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8309 -4.9114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3125 -3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 -3.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5454 -4.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6888 -3.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9743 -3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9743 -1.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4033 -1.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8848 -9.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3137 -5.7365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1284 -5.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2599 -2.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9744 -2.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1703 -9.4490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5993 -6.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1165 -4.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8309 -3.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4033 -2.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3125 -4.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4559 -9.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5993 -6.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7414 -9.4490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8848 -7.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1703 -3.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1703 -4.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7414 -8.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4559 -3.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1703 -6.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4559 -4.9114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4559 -2.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4559 -8.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1704 -6.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7414 -4.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6888 -0.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6888 -2.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1165 -3.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 -4.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2599 -3.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5454 -3.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8848 -10.6865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0282 -6.1490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1539 -6.3187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1177 -2.4364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4559 -10.6865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3138 -7.3865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 -9.8615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8848 -8.2114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8848 -3.2615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8848 -4.9115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0269 -8.2115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7414 -2.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1704 -2.0239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1704 -8.6240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8848 -5.7364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0269 -4.9115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7414 -3.6740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4559 -7.3864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4559 -5.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9 8 1 0 0 0 0 12 11 1 0 0 0 0 13 10 1 0 0 0 0 15 14 1 0 0 0 0 21 8 2 0 0 0 0 22 16 1 0 0 0 0 22 21 1 0 0 0 0 23 18 1 0 0 0 0 24 19 1 0 0 0 0 25 10 1 0 0 0 0 26 9 1 0 0 0 0 27 17 1 0 0 0 0 28 11 1 0 0 0 0 29 23 1 0 0 0 0 30 24 1 0 0 0 0 31 29 1 0 0 0 0 32 30 1 0 0 0 0 34 33 1 0 0 0 0 35 31 1 0 0 0 0 36 33 1 0 0 0 0 37 32 1 0 0 0 0 38 34 1 0 0 0 0 39 36 1 0 0 0 0 40 35 1 0 0 0 0 41 37 1 0 0 0 0 42 38 1 0 0 0 0 43 1 1 0 0 0 0 43 2 1 0 0 0 0 43 16 1 0 0 0 0 43 17 1 0 0 0 0 44 3 1 0 0 0 0 44 14 1 0 0 0 0 44 22 1 0 0 0 0 44 27 1 0 0 0 0 45 4 1 0 0 0 0 45 12 1 0 0 0 0 45 25 1 0 0 0 0 45 26 1 0 0 0 0 46 5 1 0 0 0 0 46 20 1 0 0 0 0 46 25 1 0 0 0 0 46 28 1 0 0 0 0 47 6 1 0 0 0 0 47 15 1 0 0 0 0 47 21 1 0 0 0 0 48 7 1 0 0 0 0 48 13 1 0 0 0 0 48 26 1 0 0 0 0 48 47 1 0 0 0 0 49 18 1 0 0 0 0 50 19 1 0 0 0 0 51 20 1 0 0 0 0 52 27 1 0 0 0 0 53 29 1 0 0 0 0 54 30 1 0 0 0 0 55 31 1 0 0 0 0 56 32 1 0 0 0 0 57 33 1 0 0 0 0 58 34 1 0 0 0 0 59 35 1 0 0 0 0 60 39 2 0 0 0 0 61 39 1 0 0 0 0 62 23 1 0 0 0 0 62 40 1 0 0 0 0 63 24 1 0 0 0 0 63 41 1 0 0 0 0 64 28 1 0 0 0 0 64 42 1 0 0 0 0 65 36 1 0 0 0 0 65 42 1 0 0 0 0 66 37 1 0 0 0 0 66 40 1 0 0 0 0 67 38 1 0 0 0 0 67 41 1 0 0 0 0 M END > CHEM032845 > chemdb > CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2C1 > InChI=1S/C48H78O19/c1-43(2)16-22-21-8-9-26-45(4)12-11-28(46(5,20-51)25(45)10-13-48(26,7)47(21,6)15-14-44(22,3)27(52)17-43)64-42-38(34(58)33(57)36(65-42)39(60)61)67-41-37(32(56)30(54)24(19-50)63-41)66-40-35(59)31(55)29(53)23(18-49)62-40/h8,22-38,40-42,49-59H,9-20H2,1-7H3,(H,60,61) > WFRQIKSNAYYUJZ-UHFFFAOYSA-N > C48H78O19 > 959.1215 > 958.513730314 > 19 > 103.20480344811911 > 0 > 12 > 0 > 0 > 5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-{[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}oxane-2-carboxylic acid > 1.53 > -0.10067378833333307 > -3.36 > 1 > 8 > -1 > 12.048155710555578 > 3.3178957724936944 > -3.6486744309342773 > 315.2100000000001 > 232.30480000000006 > 10 > 0 > 4.18e-01 g/l > 5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-{[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}oxane-2-carboxylic acid > 0 > Soyasaponin V > 114590-20-4 $$$$