Mrv1652309112222052D 23 25 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 0 0 0 0 0 0 0 0 0 0 3.2534 -2.0443 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2534 -2.8693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5389 -3.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5389 -4.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8245 -2.8693 0.0000 O 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 1 0 0 0 0 0 0 0 0 0 2.0850 1.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1187 0.8316 0.0000 O 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 0 0 0 0 9 10 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 9 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 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 6 0 0 0 20 22 1 1 0 0 0 23 20 1 6 0 0 0 6 23 1 0 0 0 0 17 23 1 0 0 0 0 M END > NP0319182 > NP-MRD > CC(=O)O[C@@H]1C[C@@H]2[C@H](OC(=O)C2=C)[C@@H]2[C@@H](C=C[C@@]2(C)O)[C@]1(C)O > InChI=1S/C17H22O6/c1-8-10-7-12(22-9(2)18)17(4,21)11-5-6-16(3,20)13(11)14(10)23-15(8)19/h5-6,10-14,20-21H,1,7H2,2-4H3/t10-,11+,12+,13-,14-,16+,17-/m0/s1 > NIBHTNDTDSUJGV-LXTWKHFZSA-N > C17H22O6 > 322.357 > 322.141638428 > 4 > 45 > 32.93097341903396 > 1 > 2 > 0 > 1 > (3aS,5R,6S,6aR,9R,9aS,9bS)-6,9-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,6H,6aH,9H,9aH,9bH-azuleno[4,5-b]furan-5-yl acetate > 0.2639429930000007 > 0 > 3 > 0 > 14.41813351949574 > 13.626025252383354 > -3.100653771663681 > 93.06 > 81.2344 > 2 > 1 > (3aS,5R,6S,6aR,9R,9aS,9bS)-6,9-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,6aH,9aH,9bH-azuleno[4,5-b]furan-5-yl acetate > 0 > NP0319182 > (3as,5r,6s,6ar,9r,9as,9bs)-6,9-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,9ah,9bh-azuleno[4,5-b]furan-5-yl acetate $$$$