Mrv1652304282211472D 31 32 0 0 1 0 999 V2000 -0.7145 -0.4125 0.0000 C 0 0 2 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 0.0000 -1.6500 0.0000 C 0 0 1 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 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 1 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 2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.4750 0.0000 C 0 0 0 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 3.5724 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 3.3000 0.0000 O 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 -0.3873 -2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0499 -3.0781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3873 -2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.0000 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 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 4 11 1 6 0 0 0 7 12 1 6 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 14 18 1 0 0 0 0 18 19 1 0 0 0 0 5 20 1 6 0 0 0 3 21 1 1 0 0 0 21 22 1 0 0 0 0 3 23 1 6 0 0 0 2 24 1 6 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 27 30 1 0 0 0 0 1 31 1 1 0 0 0 M END > NP0065583 > NP-MRD > C\C=C(\C)C(=O)O[C@@H]1[C@@H](O)C[C@@]2(C)[C@H](CC\C(CO)=C\CO)C(=C)CC[C@@H]2[C@@]1(C)CO > InChI=1S/C25H40O6/c1-6-16(2)23(30)31-22-20(29)13-24(4)19(9-8-18(14-27)11-12-26)17(3)7-10-21(24)25(22,5)15-28/h6,11,19-22,26-29H,3,7-10,12-15H2,1-2,4-5H3/b16-6-,18-11-/t19-,20+,21+,22-,24+,25-/m1/s1 > HSXUJQHHXAMJKI-ZQIHCRGNSA-N > C25H40O6 > 436.589 > 436.282489008 > 5 > 71 > 49.4760291818856 > 1 > 4 > 0 > 0 > (1S,2S,3S,4aS,5R,8aS)-3-hydroxy-5-[(3Z)-5-hydroxy-3-(hydroxymethyl)pent-3-en-1-yl]-1-(hydroxymethyl)-1,4a-dimethyl-6-methylidene-decahydronaphthalen-2-yl (2Z)-2-methylbut-2-enoate > 2.69 > 2.5049906936666675 > -3.85 > 0 > 2 > 0 > 14.793106523776057 > 14.035210064721316 > -2.527541517415062 > 107.22000000000001 > 122.30999999999997 > 9 > 1 > 6.21e-02 g/l > (1S,2S,3S,4aS,5R,8aS)-3-hydroxy-5-[(3Z)-5-hydroxy-3-(hydroxymethyl)pent-3-en-1-yl]-1-(hydroxymethyl)-1,4a-dimethyl-6-methylidene-hexahydro-2H-naphthalen-2-yl (2Z)-2-methylbut-2-enoate > 0 > NP0065583 > (ent-2alpha,3beta,13Z)-3-Angeloyloxy-8(17),13-labdadiene-2,15,16,18-tetrol $$$$