Mrv0541 05061306432D 88 96 0 0 0 0 999 V2000 6.3589 1.7182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5757 1.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9597 1.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1764 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3931 1.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5036 -0.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1270 -0.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9103 -0.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3987 0.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9173 0.9043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1314 0.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4191 1.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7025 0.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6981 -0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4104 -0.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8759 -1.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4234 1.8947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4061 -1.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6894 -1.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9771 -1.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9815 -0.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9858 0.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4355 2.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8076 3.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9749 2.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7582 2.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2692 -0.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4474 -0.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4518 -1.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1684 -1.7989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8807 -1.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8764 -0.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5887 -0.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5843 0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2966 1.0998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6104 -4.2664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3227 -3.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0393 -4.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0436 -5.0838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1762 -3.0101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4595 -2.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7472 -3.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0306 -2.6089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3183 -3.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6017 -2.6164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5973 -1.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3096 -1.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3053 -0.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0176 -0.1339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7516 -3.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4682 -4.2513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0263 -1.7839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 -2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2605 -1.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1306 -2.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8867 3.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0788 2.9195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5300 3.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7891 4.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5969 4.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1457 3.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9536 4.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8560 5.2693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2403 4.9348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7221 3.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1733 3.9842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3655 3.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1064 3.0337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7015 2.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2502 3.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9912 4.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 4.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0757 5.2162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 4.8817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0581 3.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9605 2.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4117 1.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6069 3.9311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3478 4.7144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8966 5.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7045 5.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9636 4.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4148 3.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6738 2.9806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7714 4.2126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2533 5.7791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6376 6.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1864 6.7296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 23 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 54 1 0 0 0 0 21 22 1 0 0 0 0 21 27 1 0 0 0 0 23 56 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 46 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 48 1 0 0 0 0 34 35 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 44 1 0 0 0 0 38 39 1 0 0 0 0 38 50 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 50 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 48 49 1 0 0 0 0 50 51 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 65 1 0 0 0 0 59 60 1 0 0 0 0 59 64 1 0 0 0 0 60 61 1 0 0 0 0 60 63 1 0 0 0 0 61 62 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 76 1 0 0 0 0 70 71 1 0 0 0 0 70 75 1 0 0 0 0 71 72 1 0 0 0 0 71 74 1 0 0 0 0 72 73 1 0 0 0 0 75 78 1 0 0 0 0 76 77 1 0 0 0 0 78 79 1 0 0 0 0 78 83 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 80 87 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 82 83 1 0 0 0 0 82 85 1 0 0 0 0 83 84 1 0 0 0 0 87 88 1 0 0 0 0 M END > CHEM027138 > chemdb > CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C > InChI=1S/C60H102O28/c1-24(2)10-9-14-60(8,88-54-47(77)42(72)39(69)31(84-54)23-79-51-48(78)44(74)49(30(22-64)83-51)86-52-45(75)40(70)36(66)27(19-61)80-52)25-11-16-59(7)35(25)26(65)18-33-57(5)15-13-34(56(3,4)32(57)12-17-58(33,59)6)85-55-50(43(73)38(68)29(21-63)82-55)87-53-46(76)41(71)37(67)28(20-62)81-53/h10,25-55,61-78H,9,11-23H2,1-8H3 > VDBDEBBSMOPOQM-UHFFFAOYSA-N > C60H102O28 > 1271.4351 > 1270.65576268 > 28 > 134.4813726775786 > 0 > 18 > 0 > 0 > 2-{[2-(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-16-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-6-methylhept-5-en-2-yl]oxy}-6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)oxane-3,4,5-triol > -0.85 > -3.322240423333334 > -2.72 > 1 > 9 > 0 > 12.084812161422615 > 11.675359122663274 > -3.6786228428906265 > 456.44000000000017 > 299.3024 > 19 > 0 > 2.43e+00 g/l > 2-{[2-(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-16-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-6-methylhept-5-en-2-yl]oxy}-6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)oxane-3,4,5-triol > 0 > Quinquenoside V > 208764-55-0 $$$$