Mrv1533004191522322D 39 39 0 0 0 0 999 V2000 3.2391 3.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0594 3.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 3.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2128 2.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0330 2.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7258 1.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9056 2.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0590 1.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 1.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5720 0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7518 0.5961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9052 -0.2474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4182 -0.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5980 -0.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7514 -1.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2644 -2.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5976 -3.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4178 -3.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1106 -3.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4438 -4.5093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2904 -3.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8034 -4.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9572 -2.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4442 -2.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 -2.8223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8038 -2.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9836 -1.9788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2908 -1.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9576 -0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4446 0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2648 -0.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1114 0.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2912 0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5984 1.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4186 1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2651 2.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4449 2.2831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7521 2.8602 0.0000 O 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 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 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 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 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 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 2 39 1 0 0 0 0 M END > NP0329744 > NP-MRD > CC1CCC(C)C(O)C(C)C(=O)OC(C)CCC(C)C(O)C(C)C(=O)OC(C)CCC(C)C(O)C(C)C(=O)O1 > InChI=1S/C30H54O9/c1-16-10-13-19(4)37-29(35)23(8)26(32)18(3)12-15-21(6)39-30(36)24(9)27(33)17(2)11-14-20(5)38-28(34)22(7)25(16)31/h16-27,31-33H,10-15H2,1-9H3 > QBBIQHYFLRPBKF-UHFFFAOYSA-N > C30H54O9 > 558.753 > 558.376783319 > 6 > 93 > 62.474945711862574 > 1 > 3 > 0 > 0 > 4,12,20-trihydroxy-3,5,8,11,13,16,19,21,24-nonamethyl-1,9,17-trioxacyclotetracosane-2,10,18-trione > 3.56 > 4.730941088999999 > -4.60 > 0 > 1 > 0 > 14.45467506211492 > 13.977553807395157 > -3.037325127830977 > 139.59 > 147.27450000000005 > 0 > 0 > 1.41e-02 g/l > 4,12,20-trihydroxy-3,5,8,11,13,16,19,21,24-nonamethyl-1,9,17-trioxacyclotetracosane-2,10,18-trione > 0 > NP0329744 > 4,12,20-trihydroxy-3,5,8,11,13,16,19,21,24-nonamethyl-1,9,17-trioxacyclotetracosane-2,10,18-trione $$$$