Ketcher 05232412122D 1 1.00000 0.00000 0 27 30 0 1 0 999 V2000 3.1890 -1.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8581 -0.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5491 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1369 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5491 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7026 2.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 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 -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8508 -0.6736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7026 -0.4945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8363 -0.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 3 2 1 6 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 6 0 0 6 8 1 0 0 0 8 3 1 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 11 10 1 1 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 10 1 0 0 0 15 16 1 0 0 0 16 6 1 0 0 0 15 17 1 6 0 0 14 18 1 6 0 0 11 19 1 0 0 0 19 20 1 1 0 0 19 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 24 11 1 0 0 0 24 25 1 0 0 0 8 26 1 1 0 0 2 27 1 0 0 0 M END > CHEBI:231445 > Sesterviolene A > A sesterterpene that is produced by a sesterterpene synthase from Streptomyces violens > 2 > C25H40 > 340.595 > 340.31300 > 0 > CC([C@H]1CC[C@@]2(C)[C@]1(C=C3[C@@]4(CC[C@@H]([C@]3(C2)[H])C)[C@@H](C)CCC=C4C)[H])C > InChI=1S/C25H40/c1-16(2)20-11-12-24(6)15-21-17(3)10-13-25(23(21)14-22(20)24)18(4)8-7-9-19(25)5/h8,14,16-17,19-22H,7,9-13,15H2,1-6H3/t17-,19-,20+,21+,22-,24+,25+/m0/s1 > LXNFNPGSBULINM-FEMJTRJBSA-N > 36350768 $$$$