Mrv1533004231521492D 25 27 0 0 0 0 999 V2000 6.4296 1.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9950 0.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3850 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1704 0.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7804 1.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9558 1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5212 0.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9112 -0.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -0.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 -0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7565 -0.8892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4608 -0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8307 -0.5732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4002 0.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1640 1.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6966 0.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0555 1.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7358 -0.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7388 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4214 -0.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3669 -1.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6267 -1.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5722 -2.7841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9411 -1.5021 0.0000 O 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 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 7 17 1 0 0 0 0 11 17 1 0 0 0 0 17 18 1 0 0 0 0 8 19 1 0 0 0 0 4 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M END > NP0233066 > NP-MRD > CC(=C)C1CCC2C(=CCC3(C)C(=O)CCC23C)C1(C)CCC(O)=O > InChI=1S/C22H32O3/c1-14(2)15-6-7-17-16(20(15,3)11-10-19(24)25)8-12-22(5)18(23)9-13-21(17,22)4/h8,15,17H,1,6-7,9-13H2,2-5H3,(H,24,25) > JSVFSMMYZKBYGK-UHFFFAOYSA-N > C22H32O3 > 344.495 > 344.23514489 > 3 > 57 > 39.50890118769 > 1 > 1 > 0 > 1 > 3-[3a,6,9b-trimethyl-3-oxo-7-(prop-1-en-2-yl)-1H,2H,3H,3aH,4H,6H,7H,8H,9H,9aH,9bH-cyclopenta[a]naphthalen-6-yl]propanoic acid > 5.11 > 4.575896790333334 > -4.94 > 0 > 3 > -1 > 19.687353165573345 > 4.847358093694669 > -7.486725365459517 > 54.370000000000005 > 99.8592 > 4 > 1 > 3.92e-03 g/l > 3-[3a,6,9b-trimethyl-3-oxo-7-(prop-1-en-2-yl)-1H,2H,4H,7H,8H,9H,9aH-cyclopenta[a]naphthalen-6-yl]propanoic acid > 0 > NP0233066 > 3-[3a,6,9b-trimethyl-3-oxo-7-(prop-1-en-2-yl)-1h,2h,4h,7h,8h,9h,9ah-cyclopenta[a]naphthalen-6-yl]propanoic acid $$$$