Mrv1652309122216462D 34 36 0 0 1 0 999 V2000 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 3.3000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8163 -2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0416 -2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2171 -2.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1702 -3.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9947 -3.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3820 -3.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9448 -4.5925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 -3.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1203 -4.5637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 6 5 1 6 0 0 0 6 7 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 6 0 0 0 8 9 1 0 0 0 0 10 9 1 6 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 6 0 0 0 13 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 1 0 0 0 15 17 1 0 0 0 0 17 18 1 6 0 0 0 17 19 1 0 0 0 0 10 19 1 0 0 0 0 19 20 1 1 0 0 0 7 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 6 0 0 0 23 25 1 0 0 0 0 6 25 1 0 0 0 0 25 26 1 6 0 0 0 25 27 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 29 33 1 0 0 0 0 33 34 1 0 0 0 0 M END > NP0329917 > NP-MRD > C[C@H]1CC[C@@]2(CO[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H](CCC=C2C)[C@]1(C)CC\C(CO)=C\CO > InChI=1S/C26H44O8/c1-16-7-11-26(15-33-24-23(32)22(31)21(30)19(14-29)34-24)17(2)5-4-6-20(26)25(16,3)10-8-18(13-28)9-12-27/h5,9,16,19-24,27-32H,4,6-8,10-15H2,1-3H3/b18-9-/t16-,19-,20-,21-,22+,23-,24-,25+,26-/m0/s1 > NRZBODCTCGUFOH-BVUWXBLFSA-N > C26H44O8 > 484.63 > 484.303618377 > 8 > 78 > 53.876094581600924 > 1 > 6 > 0 > 0 > (2S,3S,4R,5R,6S)-2-{[(1R,2S,4aR,8aS)-1-[(3Z)-5-hydroxy-3-(hydroxymethyl)pent-3-en-1-yl]-1,2,5-trimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-4a-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0.7689988169999988 > 1 > 3 > 0 > 13.194417410471814 > 12.210274928264212 > -2.5275413290004973 > 139.84 > 129.089 > 9 > 0 > (2S,3S,4R,5R,6S)-2-{[(1R,2S,4aR,8aS)-1-[(3Z)-5-hydroxy-3-(hydroxymethyl)pent-3-en-1-yl]-1,2,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-4a-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > NP0329917 > (2s,3s,4r,5r,6s)-2-{[(1r,2s,4ar,8as)-1-[(3z)-5-hydroxy-3-(hydroxymethyl)pent-3-en-1-yl]-1,2,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-4a-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol $$$$