Mrv1652309062220412D 26 29 0 0 1 0 999 V2000 2.7779 1.9334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6016 1.8863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9726 1.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7962 1.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1672 0.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9909 0.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7145 -0.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8909 -0.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5199 0.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6962 0.5068 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1801 1.1504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4085 0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4477 0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7537 -0.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0204 -0.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0188 0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7521 1.1687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6753 1.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6361 2.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0972 2.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1364 3.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8697 3.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5576 3.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2436 -0.1829 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6146 -0.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4382 -0.9670 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 3 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 1 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 12 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 24 13 1 1 0 0 0 10 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 8 26 1 0 0 0 0 M END > NP0235918 > NP-MRD > COC1=CC(O)=CC2=C1[C@@H]1OC3=C(C=CC(O)=C3CC=C(C)C)[C@@H]1CO2 > InChI=1S/C21H22O5/c1-11(2)4-5-14-16(23)7-6-13-15-10-25-18-9-12(22)8-17(24-3)19(18)21(15)26-20(13)14/h4,6-9,15,21-23H,5,10H2,1-3H3/t15-,21+/m0/s1 > YKTZRMXYANFKQR-YCRPNKLZSA-N > C21H22O5 > 354.402 > 354.146723808 > 5 > 48 > 38.136920525542706 > 1 > 2 > 0 > 1 > (1R,10R)-3-methoxy-15-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,14-diol > 3.934225073999999 > 0 > 4 > 0 > 9.673651450298063 > 9.071167547812253 > -4.411678029775278 > 68.15 > 99.2848 > 3 > 1 > (1R,10R)-3-methoxy-15-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,14-diol > 0 > NP0235918 > (1r,10r)-3-methoxy-15-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,14-diol $$$$