Mrv0541 05061311112D 66 73 0 0 0 0 999 V2000 5.8901 -0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8295 -0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0743 -2.9589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7874 -2.9589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6032 -5.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9308 -4.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2157 -3.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2164 -2.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5019 -2.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5019 -5.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -3.7839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 -3.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2164 -4.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3598 -3.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -3.7839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -1.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0743 -1.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -7.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -2.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5426 -5.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9309 -2.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -2.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 -1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 -7.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -3.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -4.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5019 -3.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0743 -2.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -4.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2138 -0.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2138 -7.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9283 -1.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9283 -7.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9283 -2.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9283 -6.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -5.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 -3.7839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 -4.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2139 -2.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2139 -5.8464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0704 -4.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3598 -0.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3598 -2.5465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -3.7839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 -5.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9309 -3.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2164 -3.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.0714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -7.0839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0704 -2.1339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8249 -6.4287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7887 -2.5464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2139 -0.0714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2139 -8.3214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6428 -0.8964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6428 -7.4964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6428 -2.5465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6428 -5.8465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -5.8464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 -2.1339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 -6.2589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0704 -3.7840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -5.0214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2139 -3.3714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2138 -5.0215 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 22 8 2 0 0 0 0 23 16 1 0 0 0 0 23 22 1 0 0 0 0 24 18 1 0 0 0 0 25 19 1 0 0 0 0 26 20 1 0 0 0 0 27 10 1 0 0 0 0 28 9 1 0 0 0 0 29 17 1 0 0 0 0 30 11 1 0 0 0 0 31 24 1 0 0 0 0 32 25 1 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 38 26 1 0 0 0 0 39 37 1 0 0 0 0 39 38 1 0 0 0 0 40 35 1 0 0 0 0 41 36 1 0 0 0 0 42 37 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 23 1 0 0 0 0 44 29 1 0 0 0 0 45 4 1 0 0 0 0 45 12 1 0 0 0 0 45 27 1 0 0 0 0 45 28 1 0 0 0 0 46 5 1 0 0 0 0 46 21 1 0 0 0 0 46 27 1 0 0 0 0 46 30 1 0 0 0 0 47 6 1 0 0 0 0 47 15 1 0 0 0 0 47 22 1 0 0 0 0 48 7 1 0 0 0 0 48 13 1 0 0 0 0 48 28 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 21 1 0 0 0 0 53 29 1 0 0 0 0 54 31 1 0 0 0 0 55 32 1 0 0 0 0 56 33 1 0 0 0 0 57 34 1 0 0 0 0 58 35 1 0 0 0 0 59 36 1 0 0 0 0 60 37 1 0 0 0 0 61 24 1 0 0 0 0 61 40 1 0 0 0 0 62 25 1 0 0 0 0 62 41 1 0 0 0 0 63 26 1 0 0 0 0 63 42 1 0 0 0 0 64 30 1 0 0 0 0 64 42 1 0 0 0 0 65 38 1 0 0 0 0 65 40 1 0 0 0 0 66 39 1 0 0 0 0 66 41 1 0 0 0 0 M END > CHEM032847 > chemdb > CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(CO)C5CCC34C)C2C1 > InChI=1S/C48H80O18/c1-43(2)16-23-22-8-9-28-45(4)12-11-30(46(5,21-52)27(45)10-13-48(28,7)47(22,6)15-14-44(23,3)29(53)17-43)64-42-37(60)39(66-41-36(59)34(57)32(55)25(19-50)62-41)38(26(20-51)63-42)65-40-35(58)33(56)31(54)24(18-49)61-40/h8,23-42,49-60H,9-21H2,1-7H3 > ZKTQSWBSOLFYDL-UHFFFAOYSA-N > C48H80O18 > 945.138 > 944.534465756 > 18 > 103.87607369995108 > 0 > 12 > 0 > 0 > 2-[(5-hydroxy-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}-2-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > 1.34 > -0.420948326333331 > -3.24 > 1 > 8 > 0 > 12.224925082226749 > 11.77756757973085 > -2.9813852994143133 > 298.14000000000004 > 232.43740000000003 > 10 > 0 > 5.42e-01 g/l > 2-[(5-hydroxy-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}-2-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > Phaseoluside A > 137231-80-2 $$$$