Mrv1652309082203412D 38 43 0 0 1 0 999 V2000 -2.3490 0.9084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7591 1.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0723 1.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7065 2.3084 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4578 1.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8413 2.6848 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6662 2.6709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9922 3.1213 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2432 2.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4770 2.5291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2375 2.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9519 2.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6664 2.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3809 2.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0954 2.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8098 2.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5243 2.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2388 2.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9532 2.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6604 3.3247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5187 3.3974 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2514 3.9045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0253 4.1902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7481 4.5880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7312 3.7632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5550 3.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9281 4.5439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8375 2.9451 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6208 2.6859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2642 2.3519 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0583 2.1281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4434 1.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2002 1.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7329 1.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6545 0.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1146 1.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4429 2.4303 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9643 1.8703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 4 2 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 1 0 0 0 6 8 1 0 0 0 0 8 9 1 6 0 0 0 9 10 1 0 0 0 0 10 11 1 1 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 1 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 10 20 1 0 0 0 0 21 20 1 1 0 0 0 4 21 1 0 0 0 0 21 22 1 0 0 0 0 8 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 24 25 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 6 0 0 0 26 27 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 6 0 0 0 28 30 1 0 0 0 0 30 31 1 6 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 37 36 1 6 0 0 0 30 37 1 0 0 0 0 8 37 1 0 0 0 0 10 38 1 0 0 0 0 4 38 1 0 0 0 0 M END > NP0259723 > NP-MRD > CCCCCCCCC[C@]12O[C@@H]3[C@@H]4[C@@H]5O[C@]5(CO)[C@@H](O)[C@@]5(O)[C@@H](C=C(C)C5=O)[C@@]4(O1)[C@H](C)C[C@@]3(O2)C(C)=C > InChI=1S/C30H44O8/c1-6-7-8-9-10-11-12-13-28-36-23-21-24-27(16-31,35-24)25(33)29(34)20(14-18(4)22(29)32)30(21,38-28)19(5)15-26(23,37-28)17(2)3/h14,19-21,23-25,31,33-34H,2,6-13,15-16H2,1,3-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28-,29-,30+/m1/s1 > JAQJQYMDHBSCKO-JDVVNZBPSA-N > C30H44O8 > 532.674 > 532.303618377 > 8 > 82 > 59.84305605399715 > 1 > 3 > 0 > 0 > (1R,2R,6S,7S,8R,10S,11S,12R,14S,16R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-nonyl-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0^{1,11}.0^{2,6}.0^{8,10}.0^{12,16}]nonadec-3-en-5-one > 4.583891039666665 > 1 > 6 > 0 > 13.3279074081249 > 11.64648895264835 > -3.1497130702329956 > 117.98 > 139.12169999999998 > 10 > 0 > (1R,2R,6S,7S,8R,10S,11S,12R,14S,16R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-nonyl-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0^{1,11}.0^{2,6}.0^{8,10}.0^{12,16}]nonadec-3-en-5-one > 0 > NP0259723 > wikstrotoxin d $$$$