Mrv1652309092202272D 17 19 0 0 0 0 999 V2000 -1.9631 2.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0493 1.3823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3819 0.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4681 0.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2218 -0.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8007 -0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -0.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8791 -0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5466 0.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4603 0.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1278 1.3823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7066 1.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0392 0.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6282 1.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3733 2.0176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4517 2.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9366 2.6850 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 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 12 13 1 0 0 0 0 7 13 1 0 0 0 0 13 14 2 0 0 0 0 3 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 12 16 1 0 0 0 0 16 17 2 0 0 0 0 M END > NP0276371 > NP-MRD > COC1=C(C)C=C2C=CC(O)=C3C(=O)OC1=C23 > InChI=1S/C13H10O4/c1-6-5-7-3-4-8(14)10-9(7)12(11(6)16-2)17-13(10)15/h3-5,14H,1-2H3 > PQWAATQIYOWJBY-UHFFFAOYSA-N > C13H10O4 > 230.219 > 230.057908802 > 3 > 27 > 23.022249008371944 > 1 > 1 > 0 > 1 > 5-hydroxy-11-methoxy-10-methyl-2-oxatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-3-one > 3.153096971333333 > 0 > 3 > 0 > 9.359655472703727 > -4.318969160468371 > 55.76 > 61.73840000000001 > 1 > 1 > 5-hydroxy-11-methoxy-10-methyl-2-oxatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-3-one > 0 > NP0276371 > 5-hydroxy-11-methoxy-10-methyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-1(11),4(12),5,7,9-pentaen-3-one $$$$