Mrv1652309072223542D 23 24 0 0 1 0 999 V2000 3.4118 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4589 -1.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1530 -1.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9488 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1586 -0.6656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9544 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1642 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5406 -1.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3364 -0.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9226 -1.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7128 -2.1901 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2990 -2.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9170 -2.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3308 -1.8268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7072 -3.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9114 -3.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3252 -2.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5350 -2.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5294 -3.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9432 -2.4787 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1196 -2.5258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8203 -1.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0224 -1.5473 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 3 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 6 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 6 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 17 18 1 0 0 0 0 17 19 2 0 0 0 0 19 20 1 0 0 0 0 3 20 1 0 0 0 0 20 21 1 6 0 0 0 21 22 1 0 0 0 0 2 22 1 0 0 0 0 22 23 2 0 0 0 0 M END > NP0256920 > NP-MRD > C[C@H]1CC\C=C(C)\CCC2=C(C)C(=O)O[C@H]2\C=C(C)\CCC1=O > InChI=1S/C20H28O3/c1-13-6-5-7-15(3)18(21)11-9-14(2)12-19-17(10-8-13)16(4)20(22)23-19/h6,12,15,19H,5,7-11H2,1-4H3/b13-6+,14-12+/t15-,19-/m0/s1 > HKOGWSMBRHOKTR-ZRRNCMGDSA-N > C20H28O3 > 316.441 > 316.203844762 > 2 > 51 > 36.034984292918274 > 1 > 0 > 0 > 1 > (10S,15aS)-3,6,10,14-tetramethyl-2H,4H,5H,8H,9H,10H,11H,12H,13H,15aH-cyclotetradeca[b]furan-2,11-dione > 4.934572094666667 > 0 > 2 > 0 > 13.701814425023809 > -6.779489762495644 > 43.370000000000005 > 94.2952 > 0 > 1 > (10S,15aS)-3,6,10,14-tetramethyl-4H,5H,8H,9H,10H,12H,13H,15aH-cyclotetradeca[b]furan-2,11-dione > 0 > NP0256920 > (10s,15as)-3,6,10,14-tetramethyl-4h,5h,8h,9h,10h,12h,13h,15ah-cyclotetradeca[b]furan-2,11-dione $$$$