Mrv1652309082217102D 27 28 0 0 1 0 999 V2000 5.1707 8.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5763 7.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7745 6.8162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7836 7.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9101 7.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4103 7.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6925 8.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1622 9.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3497 9.2498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4444 10.1683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5050 8.9043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0353 8.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7531 7.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9406 7.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6585 6.5786 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4709 6.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6585 5.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3729 5.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3729 4.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0404 4.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7854 3.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9604 3.2466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7055 4.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 6.4353 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5638 5.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3157 7.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5979 7.8426 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 7 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 6 0 0 0 15 17 1 1 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 19 23 2 0 0 0 0 15 24 1 0 0 0 0 24 25 1 6 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 6 27 1 0 0 0 0 M END > NP0269616 > NP-MRD > C[C@@H]1CC\C(COC(C)=O)=C(\C=C/C=C/[C@@]1(C)CCC1=COC=C1)/C(O)=O > InChI=1S/C22H28O5/c1-16-7-8-19(15-27-17(2)23)20(21(24)25)6-4-5-11-22(16,3)12-9-18-10-13-26-14-18/h4-6,10-11,13-14,16H,7-9,12,15H2,1-3H3,(H,24,25)/b6-4-,11-5+,20-19+/t16-,22+/m1/s1 > LLUXACMGLPHSNY-FYDCQNTESA-N > C22H28O5 > 372.461 > 372.193674002 > 3 > 55 > 40.266332403894985 > 1 > 1 > 0 > 1 > (1E,5R,6S,7E,9Z)-2-[(acetyloxy)methyl]-6-[2-(furan-3-yl)ethyl]-5,6-dimethylcyclodeca-1,7,9-triene-1-carboxylic acid > 4.235963211666666 > 0 > 2 > -1 > 4.571608080525369 > -2.784364854163536 > 76.74000000000001 > 105.9499 > 7 > 1 > (1E,5R,6S,7E,9Z)-2-[(acetyloxy)methyl]-6-[2-(furan-3-yl)ethyl]-5,6-dimethylcyclodeca-1,7,9-triene-1-carboxylic acid > 0 > NP0269616 > (1e,5r,6s,7e,9z)-2-[(acetyloxy)methyl]-6-[2-(furan-3-yl)ethyl]-5,6-dimethylcyclodeca-1,7,9-triene-1-carboxylic acid $$$$