Mrv1652309072203402D 29 33 0 0 1 0 999 V2000 -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6131 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6737 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 2 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 1 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 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 25 26 1 0 0 0 0 12 26 1 0 0 0 0 7 26 1 0 0 0 0 26 27 1 1 0 0 0 24 28 1 0 0 0 0 6 28 1 0 0 0 0 28 29 2 0 0 0 0 M END > NP0241554 > NP-MRD > CC1=CC(O)=C2C(=O)C3=C4C(=C(O)C=C3O)C(=O)C(C)(C)C3=C[C@H](O)C1=C2[C@@]43O > InChI=1S/C22H18O7/c1-7-4-8(23)14-17-13(7)11(26)6-12-21(2,3)20(28)16-10(25)5-9(24)15(19(14)27)18(16)22(12,17)29/h4-6,11,23-26,29H,1-3H3/t11-,22+/m0/s1 > OKCBDYXNYLOVEE-KPWVOAKYSA-N > C22H18O7 > 394.379 > 394.10525292 > 7 > 47 > 39.18384775214701 > 1 > 5 > 0 > 1 > (10S,17R)-2,4,10,14,17-pentahydroxy-7,7,12-trimethylpentacyclo[13.3.1.0^{5,18}.0^{8,17}.0^{11,16}]nonadeca-1(18),2,4,8,11(16),12,14-heptaene-6,19-dione > 3.709808007666667 > 0 > 5 > -1 > 7.726275830050179 > 6.628053949412043 > -3.2891218384191756 > 135.29000000000002 > 104.96739999999996 > 0 > 1 > (10S,17R)-2,4,10,14,17-pentahydroxy-7,7,12-trimethylpentacyclo[13.3.1.0^{5,18}.0^{8,17}.0^{11,16}]nonadeca-1(18),2,4,8,11(16),12,14-heptaene-6,19-dione > 0 > NP0241554 > (10s,17r)-2,4,10,14,17-pentahydroxy-7,7,12-trimethylpentacyclo[13.3.1.0⁵,¹⁸.0⁸,¹⁷.0¹¹,¹⁶]nonadeca-1(18),2,4,8,11(16),12,14-heptaene-6,19-dione $$$$