Ketcher 01052412432D 1 1.00000 0.00000 0 22 23 0 1 0 999 V2000 12.3968 -10.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2628 -10.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2628 -11.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3968 -12.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5308 -11.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5308 -10.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1290 -10.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9950 -10.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9950 -11.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1289 -12.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3968 -13.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5308 -13.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5308 -14.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3968 -15.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3968 -16.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5308 -16.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2628 -16.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8610 -12.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3968 -9.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5308 -12.5155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2628 -13.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2629 -9.5155 0.0000 H 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 6 1 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 3 2 0 0 0 4 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 15 17 1 0 0 0 9 18 1 0 0 0 1 19 1 1 0 0 4 20 1 1 0 0 11 21 1 1 0 0 2 7 1 0 0 0 2 22 1 6 0 0 M END > CHEBI:228352 > dihydroserrulatene > A diterpene from Leucophyllum frutescens. > 3 > (1S,4R,4aR)-4,7-dimethyl-1-[(2S)-6-methylhept-5-en-2-yl]-1,2,3,4,4a,5-hexahydronaphthalene > C20H32 > 272.476 > 272.25040 > 0 > [H][C@]1(CC[C@@H](C)[C@@]2([H])CC=C(C)C=C12)[C@@H](C)CCC=C(C)C > InChI=1S/C20H32/c1-14(2)7-6-8-16(4)19-12-10-17(5)18-11-9-15(3)13-20(18)19/h7,9,13,16-19H,6,8,10-12H2,1-5H3/t16-,17+,18+,19-/m0/s1 > UHHDAYUUXQNIDH-MANSERQUSA-N > 32777127; 35357832 $$$$