Ketcher 08181713332D 1 1.00000 0.00000 0 28 32 0 1 0 999 V2000 3.9035 -4.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1054 -5.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1054 -6.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9035 -6.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7014 -6.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7014 -5.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4995 -4.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4995 -6.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2976 -6.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2976 -5.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2976 -3.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4995 -3.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0957 -4.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0957 -3.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9035 -3.9438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4427 -7.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3643 -7.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7474 -7.1378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7014 -4.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4995 -5.7868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7272 -5.2150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4995 -7.6300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -6.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5599 -4.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2226 -6.8070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4821 -4.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8943 -3.4752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0949 -6.7063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 1 6 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 7 10 1 0 0 0 5 8 1 0 0 0 7 6 1 0 0 0 11 12 1 0 0 0 13 14 1 0 0 0 11 14 1 0 0 0 7 12 1 6 0 0 10 13 1 0 0 0 1 15 1 6 0 0 4 16 1 0 0 0 4 17 1 0 0 0 5 18 1 1 0 0 6 19 1 6 0 0 9 20 1 6 0 0 19 20 1 0 0 0 13 21 1 1 0 0 8 22 1 1 0 0 10 23 1 1 0 0 14 24 1 1 0 0 23 24 1 0 0 0 23 25 2 0 0 0 24 26 2 0 0 0 14 27 1 6 0 0 9 28 1 0 0 0 M END > CHEBI:138236 > oridonin > An organic heteropentacyclic compound and ent-kaurane diterpenoid with formula C20H28O6 isolated from the leaves of the medicinal herb Rabdosia rubescens. > 3 > oridonine; isodonol; (1alpha,6beta,7alpha,14R)-7,20-epoxy-1,6,7,14-tetrahydroxykaur-16-en-15-one > (1alpha,5beta,6beta,7alpha,8alpha,9beta,10alpha,13alpha,14R)-1,6,7,14-tetrahydroxy-7,20-epoxykaur-16-en-15-one > C20H28O6 > 364.433 > 364.18859 > 0 > [C@@H]1(CCC([C@@]2([C@]13[C@H]4[C@@]5([C@@]([C@H]2O)(OC3)O)[C@@H]([C@@](CC4)(C(C5=O)=C)[H])O)[H])(C)C)O > InChI=1S/C20H28O6/c1-9-10-4-5-11-18-8-26-20(25,19(11,14(9)22)15(10)23)16(24)13(18)17(2,3)7-6-12(18)21/h10-13,15-16,21,23-25H,1,4-8H2,2-3H3/t10-,11-,12-,13+,15+,16-,18+,19-,20+/m0/s1 > SDHTXBWLVGWJFT-XKCURVIJSA-N > 28957-04-2 > 1691227 > 28957-04-2 > C00033270 > 27431862; 27563888; 28128329; 28230866; 28259901; 28376864; 28381502; 28425866; 28454475; 28579904; 28618955; 28654903; 28747574; 28768083; 28781688 $$$$