Mrv1652304282223582D 23 26 0 0 1 0 999 V2000 5.1416 0.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4087 0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8663 1.5848 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0568 1.4259 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7896 0.6454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3320 0.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9699 0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7805 -0.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9486 -0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3461 0.0607 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8861 0.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3578 1.1181 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6984 1.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5178 2.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5246 1.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3474 2.2618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9272 0.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1085 0.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5231 -0.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4687 2.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7358 2.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9650 2.6937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3760 2.9198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 6 0 0 0 12 11 1 6 0 0 0 7 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 4 14 1 6 0 0 0 12 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 10 17 1 0 0 0 0 17 18 2 0 0 0 0 5 19 1 6 0 0 0 3 20 1 1 0 0 0 3 21 1 6 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M END > NP0076779 > NP-MRD > C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC=C21)C(=C)C3=O)C(O)=O > InChI=1S/C20H26O3/c1-12-13-5-6-15-18(2)8-4-9-19(3,17(22)23)14(18)7-10-20(15,11-13)16(12)21/h6,13-14H,1,4-5,7-11H2,2-3H3,(H,22,23)/t13-,14+,18-,19-,20-/m1/s1 > HTFFQSVSMVOFKU-OLINKRDDSA-N > C20H26O3 > 314.425 > 314.188194697 > 3 > 49 > 34.84905850345224 > 1 > 1 > 0 > 1 > (1R,4S,5R,9R,13R)-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadec-10-ene-5-carboxylic acid > 4.02 > 4.246902285666667 > -4.22 > 0 > 4 > -1 > 4.584077263981032 > -5.231521484053927 > 54.370000000000005 > 88.95859999999999 > 1 > 1 > 1.89e-02 g/l > (1R,4S,5R,9R,13R)-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadec-10-ene-5-carboxylic acid > 0 > NP0076779 > (+)-Licamichauxiioic acid A $$$$