Mrv1652309082223342D 22 25 0 0 1 0 999 V2000 6.7537 -0.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4126 0.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0192 1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5487 0.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3009 1.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4955 1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9379 1.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1857 0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5255 -0.4461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9911 0.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4039 -0.7038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9739 0.8569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3495 0.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5143 0.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1426 0.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5584 1.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4287 1.5486 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0148 2.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8639 2.1793 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5104 1.4067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6440 0.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1036 -0.3514 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 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 4 10 1 0 0 0 0 10 11 1 0 0 0 0 12 7 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 17 16 1 6 0 0 0 12 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 6 19 1 0 0 0 0 19 20 1 6 0 0 0 20 21 1 0 0 0 0 12 21 1 0 0 0 0 21 22 2 0 0 0 0 M END > NP0274244 > NP-MRD > CC(C)C1=CC2=C(C(O)=C1O)[C@@]13CCCC[C@@H]1C[C@@H]2OC3=O > InChI=1S/C18H22O4/c1-9(2)11-8-12-13-7-10-5-3-4-6-18(10,17(21)22-13)14(12)16(20)15(11)19/h8-10,13,19-20H,3-7H2,1-2H3/t10-,13+,18-/m1/s1 > RTLQYLIGFFIVKK-SBOFIZKASA-N > C18H22O4 > 302.37 > 302.151809188 > 3 > 44 > 32.75351096172655 > 1 > 2 > 0 > 1 > (1R,8S,10R)-3,4-dihydroxy-5-(propan-2-yl)-16-oxatetracyclo[6.6.2.0^{1,10}.0^{2,7}]hexadeca-2(7),3,5-trien-15-one > 3.9882279260000004 > 0 > 4 > 0 > 12.853267677141208 > 9.185247464624053 > -6.051902578788181 > 66.75999999999999 > 82.40539999999999 > 1 > 1 > (1R,8S,10R)-3,4-dihydroxy-5-isopropyl-16-oxatetracyclo[6.6.2.0^{1,10}.0^{2,7}]hexadeca-2(7),3,5-trien-15-one > 0 > NP0274244 > (1r,8s,10r)-3,4-dihydroxy-5-isopropyl-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),3,5-trien-15-one $$$$