Mrv1652309122212482D 25 26 0 0 1 0 999 V2000 7.1805 1.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4068 1.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2682 2.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7719 1.1565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5135 1.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 0.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9719 0.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1106 -0.7280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8170 -0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7654 -1.2298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8827 -1.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3333 -2.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5713 -2.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7475 -2.4067 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0059 -3.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1126 -2.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0252 -2.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5475 -1.3355 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0687 -0.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6215 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1861 0.8861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9481 1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8240 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1845 0.3076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7782 -1.0374 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 4 2 1 1 0 0 0 4 5 1 6 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 6 0 0 0 8 10 1 1 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 1 0 0 0 14 16 1 6 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 4 22 1 0 0 0 0 20 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 18 25 1 6 0 0 0 M END > NP0327859 > NP-MRD > CC(C)[C@]1(O)CCC2=C[C@H](C[C@@](C)(O)\C=C/C[C@](C)(O)\C=C/1)OC2=O > InChI=1S/C20H30O5/c1-14(2)20(24)9-6-15-12-16(25-17(15)21)13-19(4,23)8-5-7-18(3,22)10-11-20/h5,8,10-12,14,16,22-24H,6-7,9,13H2,1-4H3/b8-5-,11-10-/t16-,18+,19+,20+/m1/s1 > PZFBVODTZGEVTO-WOKHYUTPSA-N > C20H30O5 > 350.455 > 350.209324066 > 4 > 55 > 38.095823270323855 > 1 > 3 > 0 > 1 > (4R,5E,7S,9E,11R,13S)-4,7,11-trihydroxy-7,11-dimethyl-4-(propan-2-yl)-14-oxabicyclo[11.2.1]hexadeca-1(16),5,9-trien-15-one > 2.204241620999999 > 0 > 2 > 0 > 13.997866535327805 > 12.574217979294232 > -2.9664364706125133 > 86.99 > 99.1994 > 1 > 1 > (4R,5E,7S,9E,11R,13S)-4,7,11-trihydroxy-4-isopropyl-7,11-dimethyl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,9-trien-15-one > 0 > NP0327859 > (4r,5e,7s,9e,11r,13s)-4,7,11-trihydroxy-4-isopropyl-7,11-dimethyl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,9-trien-15-one $$$$