Mrv1652309092202442D 27 29 0 0 1 0 999 V2000 0.1848 -3.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5488 -2.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0896 -1.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4536 -0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2768 -0.9065 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6408 -0.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8485 0.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7296 0.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4640 -0.1112 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9231 -0.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5591 -1.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7360 -1.5919 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1000 -0.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 -2.3323 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8311 -3.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5294 -3.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 -3.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4009 -4.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1397 -3.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7734 -2.8213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1374 -2.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1688 -1.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9817 -1.1159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8622 -0.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2705 0.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7099 0.7826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4962 0.3689 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 5 4 1 1 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 5 12 1 0 0 0 0 12 13 1 6 0 0 0 12 14 1 0 0 0 0 14 2 1 6 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 17 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 9 27 1 0 0 0 0 M END > NP0276550 > NP-MRD > CC1=CC[C@H]2C(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]1CC\C(C)=C/COC(=O)CC(=O)O3 > InChI=1S/C23H34O4/c1-15-6-8-17-16(2)7-9-18-22(3,4)19(10-12-23(17,18)5)27-21(25)14-20(24)26-13-11-15/h7,11,17-19H,6,8-10,12-14H2,1-5H3/b15-11-/t17-,18+,19+,23+/m1/s1 > LLMHUMBEEZSSMH-AHXYYNGXSA-N > C23H34O4 > 374.521 > 374.245709575 > 2 > 61 > 42.03525806661682 > 1 > 0 > 0 > 1 > (1R,5R,8E,16S,19S)-4,8,19,20,20-pentamethyl-11,15-dioxatricyclo[14.3.1.0^{5,19}]icosa-3,8-diene-12,14-dione > 4.868390689999999 > 0 > 3 > 0 > 11.49861891854523 > -6.857104345808612 > 52.60000000000001 > 106.64519999999997 > 0 > 1 > (1R,5R,8E,16S,19S)-4,8,19,20,20-pentamethyl-11,15-dioxatricyclo[14.3.1.0^{5,19}]icosa-3,8-diene-12,14-dione > 0 > NP0276550 > (1r,5r,8e,16s,19s)-4,8,19,20,20-pentamethyl-11,15-dioxatricyclo[14.3.1.0⁵,¹⁹]icosa-3,8-diene-12,14-dione $$$$