Mrv1652309052204412D 25 28 0 0 1 0 999 V2000 0.6768 2.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4910 3.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7829 3.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0133 2.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7213 1.6466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2436 1.0079 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6146 1.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4382 1.7920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8909 1.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7145 1.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1672 0.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9909 0.5068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7962 -0.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9726 -0.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5199 0.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6962 0.3182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1801 -0.3254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4085 -0.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6753 -0.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0188 0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7521 -0.3437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0204 0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6736 1.3045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7537 1.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4477 0.7906 0.0000 C 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 2 0 0 0 0 4 5 1 0 0 0 0 6 5 1 1 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 9 15 1 0 0 0 0 15 16 1 0 0 0 0 6 16 1 0 0 0 0 16 17 1 6 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 18 25 1 0 0 0 0 6 25 1 0 0 0 0 M END > NP0206438 > NP-MRD > CC(C)=CC[C@@]12COC3=CC(O)=CC=C3[C@@H]1OC1=CC(O)=C(O)C=C21 > InChI=1S/C20H20O5/c1-11(2)5-6-20-10-24-17-7-12(21)3-4-13(17)19(20)25-18-9-16(23)15(22)8-14(18)20/h3-5,7-9,19,21-23H,6,10H2,1-2H3/t19-,20-/m0/s1 > UCYCRJCXEHJRDP-PMACEKPBSA-N > C20H20O5 > 340.375 > 340.131073744 > 5 > 45 > 36.16177596469929 > 1 > 3 > 0 > 1 > (1R,10R)-10-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-2,4,6,11,13,15-hexaene-5,13,14-triol > 3.767261211666666 > 0 > 4 > 0 > 9.719046945076137 > 9.117130231179893 > -4.582660899222252 > 79.15 > 94.10419999999999 > 2 > 1 > (1R,10R)-10-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-2,4,6,11,13,15-hexaene-5,13,14-triol > 0 > NP0206438 > (1r,10r)-10-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11,13,15-hexaene-5,13,14-triol $$$$