Mrv1533004191523282D 29 33 0 0 0 0 999 V2000 8.8716 -0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4700 0.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6451 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2435 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4186 1.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0170 1.8538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1921 1.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7688 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9439 1.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5206 0.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9222 -0.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7471 -0.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1704 0.4376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5720 -0.2831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1487 -0.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5502 -1.7118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3238 -0.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9953 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3969 -0.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2218 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6234 -1.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4483 -1.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4988 -0.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6739 -0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2724 -0.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 -0.0491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3943 0.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 1.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6957 0.4752 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 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 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 8 13 1 0 0 0 0 13 14 1 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 13 18 1 0 0 0 0 5 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 3 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 11 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 10 29 2 0 0 0 0 25 29 1 0 0 0 0 M END > NP0192080 > NP-MRD > COC1=CC2=C(C=C1OC)C1(CC3=CC=C4OC=CC4=C3OC1CO2)OC(C)=O > InChI=1S/C22H20O7/c1-12(23)29-22-10-13-4-5-16-14(6-7-26-16)21(13)28-20(22)11-27-17-9-19(25-3)18(24-2)8-15(17)22/h4-9,20H,10-11H2,1-3H3 > HROBVUODGKJNHV-UHFFFAOYSA-N > C22H20O7 > 396.395 > 396.120902984 > 5 > 49 > 40.79805125450899 > 1 > 0 > 0 > 1 > 16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3,5,8,10,14(19),15,17-heptaen-13-yl acetate > 3.86 > 2.8888470863333326 > -3.96 > 0 > 5 > 0 > -2.8488014813664804 > 76.36 > 101.37890000000003 > 4 > 1 > 4.39e-02 g/l > 16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3,5,8,10,14(19),15,17-heptaen-13-yl acetate > 0 > NP0192080 > 16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3,5,8,10,14(19),15,17-heptaen-13-yl acetate $$$$