Mrv1652309032216412D 22 24 0 0 1 0 999 V2000 5.6412 -1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9527 -0.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9157 0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5607 0.7464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1204 0.4515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6659 -0.2370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1803 -0.8820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9967 -1.6863 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6417 -2.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5188 -3.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1638 -3.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7508 -3.3179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2534 -2.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5101 -1.6863 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3265 -2.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6851 -1.6863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3265 -0.8820 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5541 -0.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5912 0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3864 0.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6763 1.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8409 -0.2370 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 6 5 1 1 0 0 0 6 7 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 1 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 8 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 6 0 0 0 14 16 1 1 0 0 0 14 17 1 0 0 0 0 17 18 1 6 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 22 20 1 6 0 0 0 6 22 1 0 0 0 0 17 22 1 0 0 0 0 M END > NP0176943 > NP-MRD > CC(=O)O[C@H]1C[C@@](C)(O)[C@@H]2CC=C(C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 > InChI=1S/C17H22O5/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/h5,11-15,20H,2,6-7H2,1,3-4H3/t11-,12+,13+,14-,15-,17-/m1/s1 > XMJROHDIQQOWTO-NRPXGKOBSA-N > C17H22O5 > 306.358 > 306.146723808 > 3 > 44 > 32.20326260637189 > 1 > 1 > 0 > 1 > (3aR,4S,6R,6aR,9aR,9bR)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,6H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl acetate > 1.0729297373333337 > 0 > 3 > 0 > 14.669974721206124 > -2.943153056944441 > 72.83 > 79.6271 > 2 > 1 > (3aR,4S,6R,6aR,9aR,9bR)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl acetate > 0 > NP0176943 > (3ar,4s,6r,6ar,9ar,9br)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate $$$$