Mrv1652309042213422D 22 24 0 0 1 0 999 V2000 1.3431 3.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9881 2.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7560 2.9069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8651 1.7897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5101 1.2753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2534 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9967 1.2753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1803 2.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8217 1.2753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1803 0.4710 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9527 0.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9157 -0.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1204 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8305 -1.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6659 -0.1740 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8409 -0.1740 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3864 -0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5912 -0.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9461 -1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5541 0.1811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8656 0.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3265 0.4710 0.0000 C 0 0 2 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 5 4 1 1 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 6 0 0 0 7 9 1 1 0 0 0 7 10 1 0 0 0 0 10 11 1 6 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 15 13 1 6 0 0 0 10 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 1 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 1 0 0 0 22 20 1 6 0 0 0 5 22 1 0 0 0 0 16 22 1 0 0 0 0 M END > NP0194103 > NP-MRD > C[C@H]1[C@H]2[C@H](OC1=O)[C@@H]1[C@@H](CC=C1C)[C@](C)(O)C[C@@H]2OC(C)=O > InChI=1S/C17H24O5/c1-8-5-6-11-13(8)15-14(9(2)16(19)22-15)12(21-10(3)18)7-17(11,4)20/h5,9,11-15,20H,6-7H2,1-4H3/t9-,11+,12-,13-,14+,15+,17+/m0/s1 > ACKIMLHJQRKFGM-OADKUMFESA-N > C17H24O5 > 308.374 > 308.162373873 > 3 > 46 > 32.839283941145084 > 1 > 1 > 0 > 1 > (3S,3aR,4S,6R,6aR,9aR,9bR)-6-hydroxy-3,6,9-trimethyl-2-oxo-2H,3H,3aH,4H,5H,6H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl acetate > 0.9312750329999995 > 0 > 3 > 0 > 14.67057039449124 > -2.942892509449532 > 72.83000000000001 > 79.8237 > 2 > 1 > (3S,3aR,4S,6R,6aR,9aR,9bR)-6-hydroxy-3,6,9-trimethyl-2-oxo-3H,3aH,4H,5H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl acetate > 0 > NP0194103 > (3s,3ar,4s,6r,6ar,9ar,9br)-6-hydroxy-3,6,9-trimethyl-2-oxo-3h,3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate $$$$