Mrv1652304282220472D 20 22 0 0 1 0 999 V2000 3.9409 2.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4553 1.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2717 0.7547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5284 0.3967 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7851 0.7547 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6016 1.5590 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1159 2.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7799 1.6329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4556 0.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6513 0.6907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0769 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0030 -0.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5284 -0.4283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9800 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6013 0.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2770 1.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7001 2.3412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0539 -0.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8025 -0.8369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2989 2.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 3 2 1 6 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 1 7 1 0 0 0 0 6 8 1 1 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 5 11 1 1 0 0 0 11 12 2 0 0 0 0 4 13 1 1 0 0 0 3 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 2 16 1 0 0 0 0 16 17 2 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 1 20 1 0 0 0 0 M END > NP0073554 > NP-MRD > CC1=C2[C@@H]([C@@H](O)[C@@H]3[C@H](C1)OC(=O)C3=C)C(CO)=CC2=O > InChI=1S/C15H16O5/c1-6-3-10-12(7(2)15(19)20-10)14(18)13-8(5-16)4-9(17)11(6)13/h4,10,12-14,16,18H,2-3,5H2,1H3/t10-,12-,13-,14-/m0/s1 > VZJADJWLDQOGAM-PYJNHQTQSA-N > C15H16O5 > 276.288 > 276.099773615 > 4 > 36 > 27.577716521244348 > 1 > 2 > 0 > 1 > (3aR,4R,4aS,9aS)-4-hydroxy-5-(hydroxymethyl)-8-methyl-3-methylidene-2H,3H,3aH,4H,4aH,7H,9H,9aH-azuleno[6,5-b]furan-2,7-dione > -0.27 > -0.017741119666666097 > -1.60 > 0 > 3 > 0 > 14.096543607470526 > 13.159521439619635 > -2.7605506371173094 > 83.83 > 71.8651 > 1 > 1 > 6.89e+00 g/l > (3aR,4R,4aS,9aS)-4-hydroxy-5-(hydroxymethyl)-8-methyl-3-methylidene-3aH,4H,4aH,9H,9aH-azuleno[6,5-b]furan-2,7-dione > 0 > NP0073554 > (+)-Intybulide $$$$