Mrv1652309072213502D 43 49 0 0 1 0 999 V2000 6.8207 -4.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1971 -3.6828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3530 -2.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1325 -2.6026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2885 -1.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0680 -1.5224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 -1.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8853 -1.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7294 -2.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2616 -0.9823 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1057 -1.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3262 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7025 -1.5224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5466 -2.3325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 -1.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7671 -2.6026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 -2.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8316 -3.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3639 -2.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5198 -1.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8961 -0.9823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2993 -1.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4552 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8316 0.0979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2348 -0.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3907 0.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7671 1.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1702 0.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1088 0.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5734 0.6379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0442 1.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6380 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8584 -0.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4175 -0.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7939 0.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9498 1.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3262 1.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7294 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3530 0.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1325 1.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1971 0.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8207 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6003 -0.1722 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 10 8 1 6 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 6 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 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 15 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 29 32 1 0 0 0 0 10 32 1 0 0 0 0 32 33 2 0 0 0 0 25 33 1 0 0 0 0 13 33 1 0 0 0 0 10 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 34 41 1 0 0 0 0 41 42 1 0 0 0 0 7 42 1 0 0 0 0 42 43 2 0 0 0 0 M END > NP0249312 > NP-MRD > COC1=CC(O)=C2C(=O)C3=C(O)C=C(C)C=C3[C@]3(CC[C@@]4(O)C5=CC(C)=CC(O)=C5C(=O)C5=C(O)C=C(OC)C3=C45)C2=C1 > InChI=1S/C34H28O9/c1-14-7-17-25(20(35)9-14)31(39)26-18(11-16(42-3)12-22(26)37)33(17)5-6-34(41)19-8-15(2)10-21(36)27(19)32(40)28-23(38)13-24(43-4)29(33)30(28)34/h7-13,35-38,41H,5-6H2,1-4H3/t33-,34-/m1/s1 > HESLOCMTQNZKEC-KKLWWLSJSA-N > C34H28O9 > 580.589 > 580.173332482 > 9 > 71 > 60.07696123554056 > 0 > 5 > 0 > 0 > (1'R,9R)-1',4,5,6',10'-pentahydroxy-2,12'-dimethoxy-4',7-dimethyl-10H-spiro[anthracene-9,14'-tetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadecane]-2'(7'),3',5',9'(17'),10',12'-hexaene-8',10-dione > 7.628338745666666 > 0 > 7 > 0 > 8.467495441424717 > 8.020946816010802 > -3.7173946417798094 > 153.74999999999997 > 159.81810000000002 > 2 > 0 > (1'R,9R)-1',4,5,6',10'-pentahydroxy-2,12'-dimethoxy-4',7-dimethylspiro[anthracene-9,14'-tetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadecane]-2'(7'),3',5',9'(17'),10',12'-hexaene-8',10-dione > 0 > NP0249312 > (1'r,9r)-1',4,5,6',10'-pentahydroxy-7,12'-dimethoxy-2,4'-dimethylspiro[anthracene-9,14'-tetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadecane]-2',4',6',9',11',13'(17')-hexaene-8',10-dione $$$$