Mrv1533004181502462D 85 93 0 0 0 0 999 V2000 0.2256 -4.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0853 -4.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4211 -3.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2383 -3.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7447 -3.0280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5619 -3.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8728 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0683 -2.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8390 -1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5218 -1.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1731 -1.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9853 -1.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2655 -0.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0777 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6095 -1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4216 -1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9534 -1.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6731 -2.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8610 -2.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0489 -2.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5171 -2.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2368 -3.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4247 -3.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8928 -2.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5330 -3.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7655 -1.6450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2974 -2.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0171 -3.0516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5489 -3.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2686 -4.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4565 -4.6035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3610 -3.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8928 -4.1678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7049 -4.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9852 -3.2467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7974 -3.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0777 -2.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8898 -2.1804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3292 -3.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1413 -3.5870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6731 -4.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3928 -4.9936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9246 -5.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6443 -6.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1762 -7.0310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7368 -5.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2686 -6.1098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0807 -5.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3610 -5.1887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1731 -5.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4534 -4.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9216 -3.6368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7049 -5.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5171 -5.5290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7974 -4.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2655 -4.1223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5458 -3.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0140 -2.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2019 -2.8609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3580 -3.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6383 -2.4253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8898 -3.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7019 -3.6867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6095 -4.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1413 -5.2385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4246 -6.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9565 -7.0808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6125 -6.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3322 -7.3712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0171 -4.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -4.5580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4852 -4.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7655 -3.2966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0489 -4.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5807 -5.1388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2368 -4.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9565 -5.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6413 -2.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4534 -2.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1095 -2.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3898 -1.3546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1102 -2.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7071 -2.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6165 -2.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 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 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 12 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 8 25 1 0 0 0 0 11 25 1 0 0 0 0 25 26 1 0 0 0 0 17 27 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 30 31 1 0 0 0 0 31 32 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 37 40 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 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 44 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 51 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 58 61 1 0 0 0 0 61 62 1 0 0 0 0 61 63 1 0 0 0 0 63 64 1 0 0 0 0 63 65 1 0 0 0 0 56 65 1 0 0 0 0 65 66 1 0 0 0 0 54 67 1 0 0 0 0 67 68 1 0 0 0 0 67 69 1 0 0 0 0 49 69 1 0 0 0 0 69 70 1 0 0 0 0 47 71 1 0 0 0 0 71 72 1 0 0 0 0 71 73 1 0 0 0 0 42 73 1 0 0 0 0 73 74 1 0 0 0 0 40 75 1 0 0 0 0 75 76 1 0 0 0 0 75 77 1 0 0 0 0 35 77 1 0 0 0 0 77 78 1 0 0 0 0 33 79 1 0 0 0 0 79 80 1 0 0 0 0 79 81 1 0 0 0 0 28 81 1 0 0 0 0 81 82 1 0 0 0 0 3 83 1 0 0 0 0 83 84 1 0 0 0 0 83 85 1 0 0 0 0 M END > NP0046900 > NP-MRD > CCC(CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O)C(C)C > InChI=1S/C59H100O26/c1-7-26(24(2)3)9-8-25(4)30-12-13-31-29-11-10-27-18-28(14-16-58(27,5)32(29)15-17-59(30,31)6)76-53-45(72)40(67)49(34(20-61)78-53)83-55-47(74)42(69)51(36(22-63)80-55)85-57-48(75)43(70)52(37(23-64)81-57)84-56-46(73)41(68)50(35(21-62)79-56)82-54-44(71)39(66)38(65)33(19-60)77-54/h10,24-26,28-57,60-75H,7-9,11-23H2,1-6H3 > ITUHLERTIFLQRH-UHFFFAOYSA-N > C59H100O26 > 1225.423 > 1224.65028334 > 26 > 185 > 129.09200968870078 > 0 > 16 > 0 > 0 > 2-[(6-{[6-({6-[(6-{[14-(5-ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > 0.76 > -1.0097014363333336 > -3.24 > 1 > 9 > 0 > 12.008449369207002 > 11.612944272006823 > -3.6854877292251143 > 415.9800000000001 > 291.8325999999999 > 21 > 0 > 7.09e-01 g/l > 2-[(6-{[6-({6-[(6-{[14-(5-ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > NP0046900 > Cellopentaosylsitosterol $$$$