Mrv0541 05061311102D 64 71 0 0 0 0 999 V2000 8.2940 -0.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6091 1.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1828 1.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4029 1.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8658 1.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6918 -0.9169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5118 -0.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5726 0.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6857 1.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5057 1.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8605 0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3832 -0.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2793 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0458 1.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5761 0.1860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2402 3.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0015 0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2894 0.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5275 1.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8515 1.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2031 -0.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8431 -0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3544 0.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6631 0.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2258 1.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1055 0.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9914 -0.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8594 0.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5715 2.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8154 0.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3401 2.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8547 1.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0088 3.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1379 1.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7228 1.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4258 1.4114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1889 3.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2342 0.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3915 2.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4304 0.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7002 2.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4142 0.8955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9944 0.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5345 0.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1437 0.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2883 0.6025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4203 3.1621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2629 1.7419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1601 2.5261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5668 1.8360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4975 4.0372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1333 2.6529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5428 1.3785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7090 1.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8576 4.2190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5655 0.0491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6248 1.2324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7183 0.1699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0315 2.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9255 0.2308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1472 0.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0829 1.6510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8802 2.8896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8124 -0.1933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 6 1 0 0 0 0 10 9 1 0 0 0 0 11 8 1 0 0 0 0 18 1 1 0 0 0 0 18 8 1 0 0 0 0 18 17 1 0 0 0 0 19 2 1 0 0 0 0 20 3 1 0 0 0 0 21 6 1 0 0 0 0 21 12 1 0 0 0 0 22 7 1 0 0 0 0 23 9 1 0 0 0 0 23 22 1 0 0 0 0 24 13 1 0 0 0 0 24 22 1 0 0 0 0 25 14 1 0 0 0 0 26 12 1 0 0 0 0 26 25 1 0 0 0 0 27 13 1 0 0 0 0 28 15 1 0 0 0 0 29 16 1 0 0 0 0 30 19 1 0 0 0 0 30 27 1 0 0 0 0 31 20 1 0 0 0 0 32 28 1 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 36 34 1 0 0 0 0 37 33 1 0 0 0 0 38 35 1 0 0 0 0 39 29 1 0 0 0 0 39 35 1 0 0 0 0 40 36 1 0 0 0 0 41 37 1 0 0 0 0 42 38 1 0 0 0 0 43 4 1 0 0 0 0 43 10 1 0 0 0 0 43 24 1 0 0 0 0 43 30 1 0 0 0 0 44 5 1 0 0 0 0 44 14 1 0 0 0 0 44 21 1 0 0 0 0 44 23 1 0 0 0 0 45 11 1 0 0 0 0 45 19 1 0 0 0 0 46 15 1 0 0 0 0 47 16 1 0 0 0 0 48 25 1 0 0 0 0 49 31 1 0 0 0 0 50 32 1 0 0 0 0 51 33 1 0 0 0 0 52 34 1 0 0 0 0 53 35 1 0 0 0 0 54 36 1 0 0 0 0 55 37 1 0 0 0 0 56 38 1 0 0 0 0 57 45 1 0 0 0 0 58 17 1 0 0 0 0 58 40 1 0 0 0 0 59 20 1 0 0 0 0 59 41 1 0 0 0 0 60 26 1 0 0 0 0 60 42 1 0 0 0 0 61 28 1 0 0 0 0 61 40 1 0 0 0 0 62 29 1 0 0 0 0 62 42 1 0 0 0 0 63 39 1 0 0 0 0 63 41 1 0 0 0 0 64 27 1 0 0 0 0 64 45 1 0 0 0 0 M END > CHEM032812 > chemdb > CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O > InChI=1S/C45H76O19/c1-18(17-58-40-36(54)34(52)32(50)28(15-46)61-40)8-11-45(57)19(2)30-27(64-45)13-24-22-7-6-21-12-26(25(48)14-44(21,5)23(22)9-10-43(24,30)4)60-42-38(56)35(53)39(29(16-47)62-42)63-41-37(55)33(51)31(49)20(3)59-41/h18-42,46-57H,6-17H2,1-5H3 > ZMKYPBQLTKXGFT-UHFFFAOYSA-N > C45H76O19 > 921.0735 > 920.49808025 > 19 > 99.55017310995623 > 0 > 12 > 0 > 0 > 2-[(6-{[6,15-dihydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-16-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol > -0.75 > -1.1693192143333324 > -3.05 > 1 > 8 > 0 > 11.964222541670713 > 11.507967026893185 > -3.6483772987566265 > 307.37000000000006 > 219.98370000000006 > 12 > 0 > 8.18e-01 g/l > 2-[(6-{[6,15-dihydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-16-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol > 0 > Trigofoenoside B > 99753-11-4 $$$$