Mrv0541 04121513292D 22 25 0 0 0 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 0 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 0 0 0 0 0 0 0 0 0 0 0.8555 -0.1426 0.0000 C 0 0 0 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 0 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 0 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 0 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 0 0 0 0 0 0 0 0 0 0 1.6312 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7108 2.1481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3099 0.6076 0.0000 C 0 0 0 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 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 7 13 1 0 0 0 0 13 14 1 0 0 0 0 9 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 5 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 18 21 1 0 0 0 0 21 22 2 0 0 0 0 M END > NP0285800 > NP-MRD > CC1CCC2(O)C3(COC3=O)C(C)(O)C3CC12C(O)C(=O)O3 > InChI=1S/C15H20O7/c1-7-3-4-15(20)13(7)5-8(22-10(17)9(13)16)12(2,19)14(15)6-21-11(14)18/h7-9,16,19-20H,3-6H2,1-2H3 > OHFIOPJOZFMKFF-UHFFFAOYSA-N > C15H20O7 > 312.318 > 312.120902984 > 5 > 42 > 29.446548033004365 > 1 > 3 > 0 > 0 > 5',7',11'-trihydroxy-2',7'-dimethyl-9'-oxaspiro[oxetane-3,6'-tricyclo[6.3.1.0¹,⁵]dodecane]-4,10'-dione > -0.57 > -0.9830728020000004 > -0.96 > 0 > 4 > 0 > 13.102769877280931 > 12.121035926723932 > -3.456297324016613 > 113.29000000000002 > 70.55079999999998 > 0 > 1 > 3.40e+01 g/l > 5',7',11'-trihydroxy-2',7'-dimethyl-9'-oxaspiro[oxetane-3,6'-tricyclo[6.3.1.0¹,⁵]dodecane]-4,10'-dione > 0 > NP0285800 > 5',7',11'-trihydroxy-2',7'-dimethyl-9'-oxaspiro[oxetane-3,6'-tricyclo[6.3.1.0¹,⁵]dodecane]-4,10'-dione $$$$