Mrv1652304282221002D 37 39 0 0 1 0 999 V2000 3.4707 2.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7109 1.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1474 0.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3438 0.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7804 0.3177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1037 1.7096 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6671 2.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4269 3.1015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5402 1.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7366 1.2936 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4964 2.0829 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0599 2.6855 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8635 2.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4773 3.2696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2184 3.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3284 2.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 1.3186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0602 0.8213 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3582 0.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4516 0.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3876 -0.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8242 -0.6582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1912 -0.2422 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7547 0.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4314 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2350 -1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5145 1.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2511 2.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4096 3.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1900 3.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8119 2.9283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3485 4.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6853 2.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1027 3.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3173 4.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1144 4.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7347 4.8870 0.0000 C 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 2 0 0 0 0 6 4 1 1 0 0 0 6 7 1 0 0 0 0 1 7 1 0 0 0 0 7 8 2 0 0 0 0 6 9 1 0 0 0 0 10 9 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 6 13 1 0 0 0 0 12 14 1 1 0 0 0 12 15 1 6 0 0 0 11 16 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 10 18 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 1 0 0 0 3 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 6 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 2 27 1 0 0 0 0 1 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 1 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 M END > NP0073768 > NP-MRD > CC[C@@H](C)C(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)[C@@]2(C[C@H]3[C@@H](CC[C@@]3(C)O)[C@@](C)(O)C2)C1=O > InChI=1S/C31H46O6/c1-9-20(6)24(32)23-25(33)30(14-10-18(2)3,15-11-19(4)5)27(35)31(26(23)34)16-22-21(29(8,37)17-31)12-13-28(22,7)36/h10-11,20-22,33,36-37H,9,12-17H2,1-8H3/t20-,21-,22+,28-,29+,31-/m1/s1 > GSBKHIDNJGPPFQ-SHAOWAMHSA-N > C31H46O6 > 514.703 > 514.329439201 > 6 > 83 > 58.12953554045693 > 0 > 3 > 0 > 0 > (1S,3'R,3'aS,7'S,7'aR)-3',4,7'-trihydroxy-3',7'-dimethyl-5,5-bis(3-methylbut-2-en-1-yl)-3-[(2R)-2-methylbutanoyl]-1',2',3',3'a,4',6',7',7'a-octahydrospiro[cyclohexane-1,5'-inden]-3-ene-2,6-dione > 3.62 > 5.749624066000001 > -4.92 > 1 > 3 > -1 > 14.453433879261791 > 3.535563635588985 > -2.897680189820658 > 111.90000000000002 > 148.2664 > 7 > 0 > 6.13e-03 g/l > (1S,3'R,3'aS,7'S,7'aR)-3',4,7'-trihydroxy-3',7'-dimethyl-5,5-bis(3-methylbut-2-en-1-yl)-3-[(2R)-2-methylbutanoyl]-1',2',3'a,4',6',7'a-hexahydrospiro[cyclohexane-1,5'-inden]-3-ene-2,6-dione > 0 > NP0073768 > (+)-Tomoeone G $$$$