Mrv0541 05061308272D 87 96 0 0 0 0 999 V2000 7.3324 2.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8315 3.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9031 2.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6734 1.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8079 3.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1764 2.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3878 1.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1023 2.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6915 2.2986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1022 -0.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6014 0.6376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0412 -0.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0411 0.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6013 6.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3367 -7.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3282 -4.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0413 -3.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4818 3.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0429 -6.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9969 2.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0864 2.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1022 0.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3878 0.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 0.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6732 -0.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3877 -0.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7556 0.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0429 -7.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7557 -0.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0863 1.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9367 5.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4602 -7.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6138 -4.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7558 -2.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6015 1.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3286 -8.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7572 5.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0435 -8.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6139 -5.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0928 4.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8404 -7.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1848 -2.8196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6140 -7.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6077 4.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0539 -7.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1848 -1.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4703 -3.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8994 -5.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1849 -5.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7873 4.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6140 -6.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4702 -1.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4705 -6.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1849 -4.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8168 1.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6733 0.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8710 2.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0862 6.9706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9202 -7.1728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0428 -4.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0415 -4.0573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3876 -1.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4701 0.8929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7574 -8.1819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3286 -9.0070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2421 6.1305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8300 -8.9229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3283 -5.7070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9132 4.6231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3972 -8.4690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8993 -3.2320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2784 -8.5232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9433 3.2884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7562 -7.0577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8992 -1.5821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0425 3.1918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3023 3.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3284 -6.5319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4702 -0.7571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4518 4.8820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6736 -6.7457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8993 -4.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7558 -1.9947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4704 -4.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8995 -6.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4705 -5.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8710 1.5599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 7 1 0 0 0 0 9 6 1 0 0 0 0 20 1 1 0 0 0 0 20 6 1 0 0 0 0 20 18 1 0 0 0 0 21 2 1 0 0 0 0 22 10 1 0 0 0 0 23 7 1 0 0 0 0 23 22 1 0 0 0 0 24 11 1 0 0 0 0 24 22 1 0 0 0 0 25 12 1 0 0 0 0 26 10 1 0 0 0 0 26 25 1 0 0 0 0 27 13 1 0 0 0 0 28 19 1 0 0 0 0 29 12 1 0 0 0 0 29 27 1 0 0 0 0 30 11 1 0 0 0 0 31 14 1 0 0 0 0 32 15 1 0 0 0 0 33 16 1 0 0 0 0 34 17 1 0 0 0 0 35 21 1 0 0 0 0 35 30 1 0 0 0 0 36 28 1 0 0 0 0 37 31 1 0 0 0 0 38 32 1 0 0 0 0 39 33 1 0 0 0 0 40 37 1 0 0 0 0 41 38 1 0 0 0 0 43 36 1 0 0 0 0 44 40 1 0 0 0 0 45 41 1 0 0 0 0 46 42 1 0 0 0 0 47 34 1 0 0 0 0 47 42 1 0 0 0 0 48 39 1 0 0 0 0 49 48 1 0 0 0 0 50 44 1 0 0 0 0 51 43 1 0 0 0 0 52 46 1 0 0 0 0 53 45 1 0 0 0 0 54 49 1 0 0 0 0 55 3 1 0 0 0 0 55 8 1 0 0 0 0 55 24 1 0 0 0 0 55 35 1 0 0 0 0 56 4 1 0 0 0 0 56 13 1 0 0 0 0 56 23 1 0 0 0 0 56 25 1 0 0 0 0 57 9 1 0 0 0 0 57 21 1 0 0 0 0 58 14 1 0 0 0 0 59 15 1 0 0 0 0 60 16 1 0 0 0 0 61 17 1 0 0 0 0 62 26 1 0 0 0 0 63 27 1 0 0 0 0 64 28 1 0 0 0 0 65 36 1 0 0 0 0 66 37 1 0 0 0 0 67 38 1 0 0 0 0 68 39 1 0 0 0 0 69 40 1 0 0 0 0 70 41 1 0 0 0 0 71 42 1 0 0 0 0 72 43 1 0 0 0 0 73 44 1 0 0 0 0 74 45 1 0 0 0 0 75 46 1 0 0 0 0 76 5 1 0 0 0 0 76 57 1 0 0 0 0 77 18 1 0 0 0 0 77 50 1 0 0 0 0 78 19 1 0 0 0 0 78 51 1 0 0 0 0 79 29 1 0 0 0 0 79 52 1 0 0 0 0 80 31 1 0 0 0 0 80 50 1 0 0 0 0 81 32 1 0 0 0 0 81 53 1 0 0 0 0 82 33 1 0 0 0 0 82 54 1 0 0 0 0 83 34 1 0 0 0 0 83 52 1 0 0 0 0 84 47 1 0 0 0 0 84 54 1 0 0 0 0 85 48 1 0 0 0 0 85 51 1 0 0 0 0 86 49 1 0 0 0 0 86 53 1 0 0 0 0 87 30 1 0 0 0 0 87 57 1 0 0 0 0 M END > FDB014118 > foodb > COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC(O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C2C1C > InChI=1S/C57H96O30/c1-20(18-77-50-44(73)40(69)37(66)31(14-58)80-50)6-9-57(76-5)21(2)35-30(87-57)11-24-22-10-26(62)25-12-29(27(63)13-56(25,4)23(22)7-8-55(24,35)3)79-52-46(75)42(71)47(34(17-61)83-52)84-54-49(86-53-45(74)41(70)38(67)32(15-59)81-53)48(39(68)33(16-60)82-54)85-51-43(72)36(65)28(64)19-78-51/h20-54,58-75H,6-19H2,1-5H3 > VJFMEKSHTFKNOP-UHFFFAOYSA-N > C57H96O30 > 1261.3541 > 1260.598641732 > 30 > 131.16340043151632 > 0 > 18 > 0 > 0 > 2-(4-{16-[(3,4-dihydroxy-5-{[5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]-15,19-dihydroxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-6-yl}-2-methylbutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol > -1.61 > -5.793203823666664 > -2.28 > 1 > 10 > 0 > 12.096387392101137 > 11.677197821976872 > -3.672686771973492 > 474.90000000000026 > 286.7352 > 19 > 0 > 6.56e+00 g/l > 2-(4-{16-[(3,4-dihydroxy-5-{[5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]-15,19-dihydroxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-6-yl}-2-methylbutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > FDB014118 > (2a,3b,5a,6a,22R,25R)-Furostane-22-methoxy-2,3,6,26-tetrol 3-[glucosyl-(1->2)-[xylosyl-(1->3)]-glucosyl-(1->4)-galactoside] 26-glucoside $$$$