Mrv0541 05061306432D 86 93 0 0 0 0 999 V2000 6.4889 2.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7099 2.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0852 1.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3062 2.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5272 2.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6199 -0.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2271 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0061 -0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5051 0.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0346 1.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2447 1.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5392 1.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8161 1.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7985 0.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5040 -0.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9839 -0.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5567 2.2616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4864 -1.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7633 -1.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0578 -1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0754 -0.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5778 2.8053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9593 3.3712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1136 2.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8926 2.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3699 0.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3532 -0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 -0.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0939 -1.3739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7995 -0.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7819 -0.1215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4874 0.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4698 1.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1753 1.5586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5753 -3.8179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2808 -3.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0039 -3.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0215 -4.6123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1205 -2.5045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3974 -2.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6919 -2.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9688 -2.1378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2632 -2.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5401 -2.1683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5226 -1.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2281 -0.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2105 -0.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9160 0.3366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7095 -3.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4326 -3.7570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9512 -1.3130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7064 -2.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3347 -1.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0681 -2.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8260 -2.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8084 -1.2521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5491 -2.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2546 -2.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9777 -2.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0389 3.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2285 3.2757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6896 3.9004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9613 4.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7717 4.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3105 4.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1210 4.3633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0433 5.6127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4224 5.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 3.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3404 4.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6832 -2.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4063 -2.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1118 -1.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8349 -2.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5299 4.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2583 3.4376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5521 3.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 3.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8194 4.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0089 4.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8237 2.5043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2627 5.6203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3582 5.3118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9014 3.7537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6342 2.3500 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 61 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 40 56 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 2 0 0 0 0 56 58 1 0 0 0 0 58 59 2 0 0 0 0 59 60 1 0 0 0 0 60 72 1 0 0 0 0 61 62 1 0 0 0 0 61 66 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 63 70 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 65 66 1 0 0 0 0 65 68 1 0 0 0 0 66 67 1 0 0 0 0 70 71 1 0 0 0 0 71 76 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 76 77 1 0 0 0 0 76 81 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 78 82 1 0 0 0 0 79 80 1 0 0 0 0 79 85 1 0 0 0 0 80 81 1 0 0 0 0 80 84 1 0 0 0 0 81 83 1 0 0 0 0 82 86 1 0 0 0 0 M END > CHEM027136 > chemdb > CCCCC\C=C\C(=O)OCC1OC(OC2C(O)C(O)C(CO)OC2OC2CCC3(C)C(CCC4(C)C3CC(O)C3C(CCC43C)C(C)(CCC=C(C)C)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C2(C)C)C(O)C(O)C1O > InChI=1S/C62H104O24/c1-10-11-12-13-14-17-40(66)78-28-35-44(69)47(72)51(76)55(82-35)85-53-49(74)43(68)34(27-64)81-57(53)84-39-20-22-59(6)37(58(39,4)5)19-24-60(7)38(59)25-32(65)41-31(18-23-61(41,60)8)62(9,21-15-16-30(2)3)86-56-52(77)48(73)45(70)36(83-56)29-79-54-50(75)46(71)42(67)33(26-63)80-54/h14,16-17,31-39,41-57,63-65,67-77H,10-13,15,18-29H2,1-9H3/b17-14+ > KRCPFRPUBYFDPP-SAPNQHFASA-N > C62H104O24 > 1233.4748 > 1232.691754256 > 23 > 134.66383389478324 > 0 > 14 > 0 > 0 > {6-[(4,5-dihydroxy-2-{[16-hydroxy-2,6,6,10,11-pentamethyl-14-(6-methyl-2-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}hept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl (2E)-oct-2-enoate > 1.00 > 2.044256627666667 > -3.91 > 1 > 8 > 0 > 12.187835820512044 > 11.75155569202269 > -3.6490925383848642 > 383.36000000000007 > 304.7658 > 23 > 0 > 1.51e-01 g/l > {6-[(4,5-dihydroxy-2-{[16-hydroxy-2,6,6,10,11-pentamethyl-14-(6-methyl-2-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}hept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl (2E)-oct-2-enoate > 0 > Quinquenoside II > 208764-52-7 $$$$