Mrv1652309082208232D 23 26 0 0 1 0 999 V2000 -0.9573 -1.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1957 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4962 -1.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1446 -0.9386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9388 -1.1618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8555 -0.1426 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6766 -0.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0275 -0.1610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0085 0.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0008 1.3376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8598 1.3788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3323 0.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1566 0.7062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 -0.0827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3624 -0.7746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8612 1.3369 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7108 2.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6312 1.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3099 0.6076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8797 1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4763 0.6344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9065 0.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9255 -0.7870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 6 0 0 0 4 6 1 0 0 0 0 6 7 1 6 0 0 0 6 8 1 0 0 0 0 2 8 1 0 0 0 0 8 9 1 6 0 0 0 10 9 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 8 14 1 0 0 0 0 14 15 1 6 0 0 0 10 16 1 0 0 0 0 16 17 1 1 0 0 0 16 18 1 6 0 0 0 16 19 1 0 0 0 0 6 19 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 19 22 1 0 0 0 0 22 23 2 0 0 0 0 M END > NP0263253 > NP-MRD > C[C@@H]1C[C@@H](O)[C@]2(O)[C@]3(COC3=O)[C@@](C)(O)[C@H]3C[C@@]12[C@H](O)C(=O)O3 > InChI=1S/C15H20O8/c1-6-3-7(16)15(21)13(6)4-8(23-10(18)9(13)17)12(2,20)14(15)5-22-11(14)19/h6-9,16-17,20-21H,3-5H2,1-2H3/t6-,7-,8?,9-,12+,13+,14+,15-/m1/s1 > GEVWHIDSUOMVRI-YBEARWEESA-N > C15H20O8 > 328.317 > 328.115817604 > 6 > 43 > 30.35895915435463 > 1 > 4 > 0 > 0 > (1'S,2'R,3S,4'R,5'R,7'R,8'R,11'S)-4',5',7',11'-tetrahydroxy-2',7'-dimethyl-9'-oxaspiro[oxetane-3,6'-tricyclo[6.3.1.0^{1,5}]dodecane]-4,10'-dione > -2.057976409 > 0 > 4 > 0 > 12.726228295196805 > 12.014989408955321 > -3.2698134866479807 > 133.52 > 71.91229999999999 > 0 > 1 > (1'S,2'R,3S,4'R,5'R,7'R,8'R,11'S)-4',5',7',11'-tetrahydroxy-2',7'-dimethyl-9'-oxaspiro[oxetane-3,6'-tricyclo[6.3.1.0^{1,5}]dodecane]-4,10'-dione > 0 > NP0263253 > (1's,2'r,3s,4'r,5'r,7'r,8'r,11's)-4',5',7',11'-tetrahydroxy-2',7'-dimethyl-9'-oxaspiro[oxetane-3,6'-tricyclo[6.3.1.0¹,⁵]dodecane]-4,10'-dione $$$$