Mrv1652306192118573D 38 41 0 0 0 0 999 V2000 1.3577 -2.1875 0.7745 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0626 -1.6508 1.8884 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0763 -0.2702 2.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5269 0.2367 3.1763 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6307 1.6915 3.4781 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9899 2.0583 3.2565 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 2.0053 4.9201 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3902 3.4092 5.2057 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9411 4.3445 4.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 5.5347 4.6029 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 3.8434 3.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7189 4.6888 2.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2589 4.2303 0.9592 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5414 2.9249 0.5068 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0437 2.5189 -0.7792 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5791 2.8584 -1.9903 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0053 2.5005 -3.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 1.8038 -3.2394 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8343 1.4631 -2.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2606 1.8197 -0.8235 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3284 2.0817 1.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7882 2.5455 2.5761 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6849 0.6847 0.9232 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6678 0.3341 -0.2491 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9396 -2.0710 -0.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2339 -3.2610 0.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3582 -1.7506 0.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8748 -0.4575 3.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3296 2.4985 4.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1587 1.7429 5.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8358 1.4656 5.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 5.7021 2.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 4.8988 0.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5263 3.3931 -1.9861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5055 2.7593 -4.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6436 1.5210 -4.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7732 0.9164 -2.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7695 1.5469 0.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 22 11 2 0 0 0 0 23 3 1 0 0 0 0 7 8 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 12 13 2 0 0 0 0 9 10 2 0 0 0 0 8 9 1 0 0 0 0 3 2 1 0 0 0 0 9 11 1 0 0 0 0 23 24 2 0 0 0 0 5 7 1 0 0 0 0 15 16 2 0 0 0 0 13 14 1 0 0 0 0 16 17 1 0 0 0 0 5 22 1 0 0 0 0 17 18 2 0 0 0 0 14 21 2 0 0 0 0 18 19 1 0 0 0 0 22 21 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 14 15 1 0 0 0 0 11 12 1 0 0 0 0 2 1 1 0 0 0 0 21 23 1 0 0 0 0 5 6 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 4 28 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 6 29 1 0 0 0 0 M END > NP0024627 > NP-MRD > [H]O[C@@]12C([H])=C(OC([H])([H])[H])C(=O)C3=C(C([H])=C([H])C(C(=O)OC1([H])[H])=C23)C1=C([H])C([H])=C([H])C([H])=C1[H] > InChI=1S/C19H14O5/c1-23-14-9-19(22)10-24-18(21)13-8-7-12(11-5-3-2-4-6-11)15(16(13)19)17(14)20/h2-9,22H,10H2,1H3/t19-/m0/s1 > LVYFZQLYYPOWQS-IBGZPJMESA-N > C19H14O5 > 322.316 > 322.084123551 > 4 > 38 > 32.583704005484776 > 1 > 1 > 0 > 1 > (5R)-5-hydroxy-7-methoxy-10-phenyl-3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(13),6,9,11-tetraene-2,8-dione > 2.61 > 2.0011603553333335 > -3.80 > 0 > 4 > 0 > 12.297491545946851 > -3.9808771978028465 > 72.83 > 88.5822 > 2 > 1 > 5.07e-02 g/l > (5R)-5-hydroxy-7-methoxy-10-phenyl-3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(13),6,9,11-tetraene-2,8-dione > 0 > NP0024627 > 3a-hydroxy-5-methoxy-7-phenyl-3,3a-dihydrobenzo[de]isochromene-1,6-dione $$$$