Mrv1533004251509292D 30 34 0 0 0 0 999 V2000 7.9975 -0.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9031 0.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5106 1.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1676 1.8633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3480 1.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8918 2.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3523 3.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0831 2.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5546 1.6136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4972 0.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1845 0.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6885 0.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2323 1.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 2.1635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4089 1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9527 1.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3199 2.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1293 1.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7621 1.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2183 0.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 0.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4979 -0.1227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3213 -0.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7775 -0.7587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9247 3.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5467 3.9714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3882 4.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2298 5.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1979 4.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5786 4.6226 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 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 2 11 1 0 0 0 0 5 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 8 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 12 23 1 0 0 0 0 23 24 2 0 0 0 0 25 8 1 4 0 0 0 25 26 2 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 27 30 1 0 0 0 0 M END > NP0152312 > NP-MRD > CC1CCC2C1C1OC(OC3=C1C(=O)OC1=CC=CC(C)=C31)(C=CC(C)(C)O)C2C > InChI=1S/C25H30O5/c1-13-7-6-8-17-19(13)22-20(23(26)28-17)21-18-14(2)9-10-16(18)15(3)25(29-21,30-22)12-11-24(4,5)27/h6-8,11-12,14-16,18,21,27H,9-10H2,1-5H3 > DWFVTYSPFRBHTG-UHFFFAOYSA-N > C25H30O5 > 410.51 > 410.209324066 > 4 > 60 > 45.174007592509156 > 1 > 1 > 0 > 1 > 13-(3-hydroxy-3-methylbut-1-en-1-yl)-9,14,18-trimethyl-4,12,20-trioxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁵,¹⁹]icosa-2(11),5,7,9-tetraen-3-one > 4.67 > 4.417501859000001 > -5.45 > 0 > 5 > 0 > 15.00712419894461 > -2.795683875381628 > 64.99000000000001 > 115.367 > 2 > 1 > 1.45e-03 g/l > 13-(3-hydroxy-3-methylbut-1-en-1-yl)-9,14,18-trimethyl-4,12,20-trioxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁵,¹⁹]icosa-2(11),5,7,9-tetraen-3-one > 0 > NP0152312 > 13-(3-hydroxy-3-methylbut-1-en-1-yl)-9,14,18-trimethyl-4,12,20-trioxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁵,¹⁹]icosa-2(11),5,7,9-tetraen-3-one $$$$