Mrv0541 05061311312D 62 69 0 0 0 0 999 V2000 8.5617 1.0905 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 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 7.5052 0.1284 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 6.9497 0.7383 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 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 10.2825 -2.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8666 -0.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6880 -1.7346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2281 -1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3111 0.3044 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 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 -6.0193 -2.4902 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 -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 10.5331 -2.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4081 -1.3712 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 -5.5306 -3.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3391 -1.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9194 -2.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5896 -1.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0994 -1.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7107 -3.0640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0341 -0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7681 -1.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3794 -2.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2281 -0.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2568 -0.5248 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 10.8380 -3.5315 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 -6.8393 -2.5810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8619 -3.9104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8945 -2.5693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2507 -2.7914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3956 -0.9973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6107 -2.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2220 -3.7287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2846 0.2227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0519 -1.0986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6726 -0.1295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8680 -1.6438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5594 -2.2176 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 -0.9255 0.2308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9776 -1.5255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0768 -0.6156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 6 1 0 0 0 0 8 5 1 0 0 0 0 10 9 1 0 0 0 0 18 1 1 0 0 0 0 18 5 1 0 0 0 0 18 15 1 0 0 0 0 19 2 1 0 0 0 0 20 6 1 0 0 0 0 20 11 1 0 0 0 0 21 7 1 0 0 0 0 22 9 1 0 0 0 0 22 21 1 0 0 0 0 23 12 1 0 0 0 0 23 21 1 0 0 0 0 24 13 1 0 0 0 0 25 16 1 0 0 0 0 26 8 1 0 0 0 0 26 19 2 0 0 0 0 27 11 1 0 0 0 0 27 24 1 0 0 0 0 28 12 1 0 0 0 0 29 14 1 0 0 0 0 30 17 1 0 0 0 0 31 19 1 0 0 0 0 31 28 1 0 0 0 0 32 25 1 0 0 0 0 33 29 1 0 0 0 0 34 30 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 37 32 1 0 0 0 0 38 35 1 0 0 0 0 39 36 1 0 0 0 0 40 37 1 0 0 0 0 41 38 1 0 0 0 0 42 39 1 0 0 0 0 43 3 1 0 0 0 0 43 10 1 0 0 0 0 43 23 1 0 0 0 0 43 31 1 0 0 0 0 44 4 1 0 0 0 0 44 13 1 0 0 0 0 44 20 1 0 0 0 0 44 22 1 0 0 0 0 45 14 1 0 0 0 0 46 24 1 0 0 0 0 47 25 1 0 0 0 0 48 32 1 0 0 0 0 49 33 1 0 0 0 0 50 34 1 0 0 0 0 51 35 1 0 0 0 0 52 36 1 0 0 0 0 53 37 1 0 0 0 0 54 38 1 0 0 0 0 55 39 1 0 0 0 0 56 15 1 0 0 0 0 56 41 1 0 0 0 0 57 16 1 0 0 0 0 57 40 1 0 0 0 0 58 17 1 0 0 0 0 58 40 1 0 0 0 0 59 26 1 0 0 0 0 59 28 1 0 0 0 0 60 27 1 0 0 0 0 60 42 1 0 0 0 0 61 29 1 0 0 0 0 61 41 1 0 0 0 0 62 30 1 0 0 0 0 62 42 1 0 0 0 0 M END > FDB019612 > foodb > CC(CCC1=C(C)C2C(CC3C4CCC5CC(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)O1)COC1OC(CO)C(O)C(O)C1O > InChI=1S/C44H72O18/c1-18(15-56-41-38(54)35(51)33(49)29(14-45)61-41)5-8-26-19(2)31-28(59-26)12-23-21-7-6-20-11-27(24(46)13-44(20,4)22(21)9-10-43(23,31)3)60-42-39(55)36(52)34(50)30(62-42)17-58-40-37(53)32(48)25(47)16-57-40/h18,20-25,27-42,45-55H,5-17H2,1-4H3 > AALVUUMVCUHIRJ-UHFFFAOYSA-N > C44H72O18 > 889.0317 > 888.4718655 > 18 > 96.25464254151649 > 0 > 11 > 0 > 0 > 2-{[15-hydroxy-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]icos-6-en-16-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol > -0.78 > -1.5070261559999993 > -3.24 > 1 > 8 > 0 > 12.202782196357273 > 11.757772871362521 > -3.648377298756638 > 287.14 > 215.23580000000004 > 12 > 0 > 5.06e-01 g/l > 2-{[15-hydroxy-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]icos-6-en-16-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol > 0 > FDB019612 > Trigoneoside VIII $$$$