Mrv1652309082208392D 25 30 0 0 1 0 999 V2000 3.0512 3.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9102 2.8263 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6138 3.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3893 2.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9794 3.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6527 2.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 1.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4963 1.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7271 0.8610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2057 1.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3849 1.4175 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1621 0.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3628 0.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7863 1.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 0.9754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5046 0.2888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6753 1.7490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2629 2.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 1.8034 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4325 2.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6553 3.1878 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8780 3.9822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4546 3.3921 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0716 3.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8084 2.0076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 6 10 2 0 0 0 0 11 10 1 6 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 19 18 1 1 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 6 0 0 0 22 23 1 0 0 0 0 21 23 1 0 0 0 0 2 23 1 0 0 0 0 23 24 1 1 0 0 0 25 19 1 1 0 0 0 11 25 1 0 0 0 0 2 25 1 0 0 0 0 M END > NP0263468 > NP-MRD > C[C@]12O[C@H]1C[C@@]13COC(=O)C1=CC[C@@H]1[C@@H]3[C@@]2(C)CC(=O)C2=C1OC=C2 > InChI=1S/C20H20O5/c1-18-7-13(21)10-5-6-23-15(10)11-3-4-12-17(22)24-9-20(12,16(11)18)8-14-19(18,2)25-14/h4-6,11,14,16H,3,7-9H2,1-2H3/t11-,14-,16+,18+,19-,20+/m0/s1 > YUHUNBNDSJFBLP-HJOVDXBCSA-N > C20H20O5 > 340.375 > 340.131073744 > 3 > 45 > 34.786677849765056 > 1 > 0 > 0 > 1 > (1R,2R,4S,6S,13R,21S)-1,2-dimethyl-3,8,15-trioxahexacyclo[11.7.1.0^{2,4}.0^{6,10}.0^{6,21}.0^{14,18}]henicosa-10,14(18),16-triene-9,19-dione > 1.689142144333333 > 0 > 6 > 0 > 14.534573357654573 > -2.9446133034944526 > 69.04 > 88.14219999999999 > 0 > 1 > (1R,2R,4S,6S,13R,21S)-1,2-dimethyl-3,8,15-trioxahexacyclo[11.7.1.0^{2,4}.0^{6,10}.0^{6,21}.0^{14,18}]henicosa-10,14(18),16-triene-9,19-dione > 0 > NP0263468 > (1r,2r,4s,6s,13r,21s)-1,2-dimethyl-3,8,15-trioxahexacyclo[11.7.1.0²,⁴.0⁶,¹⁰.0⁶,²¹.0¹⁴,¹⁸]henicosa-10,14(18),16-triene-9,19-dione $$$$