52921782 CDK 1209211503 22 21 0 0 0 0 0 0 0 0999 V2000 13.0818 0.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 -0.8745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 -0.0495 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7949 0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 -0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 -0.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 -0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 -0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 -0.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 -0.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -0.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 -0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 -0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 22 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 6 0 0 0 4 6 1 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 12 2 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 2 0 0 0 0 10 16 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 22 1 0 0 0 0 15 19 1 0 0 0 0 16 20 2 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 M END > CHEBI:187946 > 16:3(2E,10E,12E)(3Me,5Me[R],7My,15Me) > 2 > (2E,5R,10E,12E)-3,5,15-trimethyl-7-methylidenehexadeca-2,10,12-trienoic acid > C20H32O2 > 304.474 > 304.24023 > 0 > OC(=O)\C=C(\C[C@@H](CC(CC\C=C\C=C\CC(C)C)=C)C)/C > InChI=1S/C20H32O2/c1-16(2)11-9-7-6-8-10-12-17(3)13-18(4)14-19(5)15-20(21)22/h6-9,15-16,18H,3,10-14H2,1-2,4-5H3,(H,21,22)/b8-6+,9-7+,19-15+/t18-/m1/s1 > XQIKRXUJLGQAKM-DNIQSHCLSA-N > LMFA01020367 $$$$