Mrv0541 05061310472D 63 71 0 0 0 0 999 V2000 4.3030 -3.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2076 -4.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9154 -1.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4351 -3.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9810 -3.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2682 -1.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4446 -1.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6399 -3.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1573 -3.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3337 -3.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4540 -3.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5451 -2.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6640 -1.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8046 -3.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5420 -7.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9881 -5.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4082 -2.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1170 -3.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3319 -3.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7390 -1.4959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7215 -2.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0743 -2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5276 -3.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2507 -2.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6282 -3.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9984 -2.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9311 -2.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9123 -6.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3584 -5.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0648 -3.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1093 -0.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7359 -6.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1820 -4.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9329 -0.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1062 -5.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3862 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6528 -4.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5523 -4.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0990 -3.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0159 -2.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -4.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2754 -3.6117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8804 -3.2101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3512 -3.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7452 -2.8845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9953 -7.7475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1645 -5.8234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0815 -4.3969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6560 -0.0694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1892 -6.9623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6353 -5.6796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3032 0.0265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9298 -5.4878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2098 -1.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0231 -4.1092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2223 -2.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1923 -2.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8221 -2.9224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4589 -5.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9051 -4.3489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3759 -4.2051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4693 -2.8265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1155 -2.1473 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 2 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 29 1 0 0 0 0 34 31 1 0 0 0 0 35 32 1 0 0 0 0 36 34 1 0 0 0 0 37 35 1 0 0 0 0 38 33 1 0 0 0 0 39 38 1 0 0 0 0 40 36 1 0 0 0 0 41 37 1 0 0 0 0 42 39 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 17 1 0 0 0 0 56 45 1 0 0 0 0 57 20 1 0 0 0 0 57 40 1 0 0 0 0 58 26 1 0 0 0 0 58 42 1 0 0 0 0 59 28 1 0 0 0 0 59 41 1 0 0 0 0 60 29 1 0 0 0 0 60 42 1 0 0 0 0 61 38 1 0 0 0 0 61 41 1 0 0 0 0 62 39 1 0 0 0 0 62 40 1 0 0 0 0 63 27 1 0 0 0 0 63 45 1 0 0 0 0 M END > CHEM032342 > chemdb > CC1C2C(CC3C4CC=C5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1 > InChI=1S/C45H72O18/c1-18-8-11-45(56-17-18)19(2)30-27(63-45)13-24-22-7-6-21-12-26(25(48)14-44(21,5)23(22)9-10-43(24,30)4)58-42-39(62-40-36(54)34(52)31(49)20(3)57-40)38(33(51)29(16-47)60-42)61-41-37(55)35(53)32(50)28(15-46)59-41/h6,18-20,22-42,46-55H,7-17H2,1-5H3 > HCWNBMHHBWNUPV-UHFFFAOYSA-N > C45H72O18 > 901.0424 > 900.4718655 > 18 > 95.95552355298105 > 0 > 10 > 0 > 0 > 2-{[3-hydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-15'-oloxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0.06 > -0.41319512333333464 > -3.05 > 1 > 9 > 0 > 12.372725303310144 > 11.883216182019726 > -3.1683160262759715 > 276.14 > 217.32360000000006 > 8 > 0 > 8.10e-01 g/l > 2-{[3-hydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-15'-oloxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > Fistuloside B > 142287-77-2 $$$$