Mrv1652306292221482D 18 20 0 0 1 0 999 V2000 -1.1129 -3.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 -2.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0734 -2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -2.3479 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3556 -1.5229 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0701 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 -2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -2.7604 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4574 -3.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6827 -3.4889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0734 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 -1.2680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3429 -1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1679 -1.9354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 5 4 1 6 0 0 0 5 6 1 0 0 0 0 6 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 5 10 1 0 0 0 0 10 11 1 6 0 0 0 10 12 1 1 0 0 0 6 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 2 16 1 0 0 0 0 16 17 2 0 0 0 0 6 18 1 6 0 0 0 M END > NP0139301 > NP-MRD > CC1=C2C[C@H]3[C@](C)(O)CCC[C@]3(C)C=C2OC1=O > InChI=1S/C15H20O3/c1-9-10-7-12-14(2,5-4-6-15(12,3)17)8-11(10)18-13(9)16/h8,12,17H,4-7H2,1-3H3/t12-,14-,15-/m1/s1 > SILRZHXBWKFKMJ-BPLDGKMQSA-N > C15H20O3 > 248.322 > 248.141244504 > 2 > 38 > 27.614348872703715 > 1 > 1 > 0 > 1 > (4aR,5R,8aR)-5-hydroxy-3,5,8a-trimethyl-2H,4H,4aH,5H,6H,7H,8H,8aH-naphtho[2,3-b]furan-2-one > 3.03 > 2.03451954 > -2.82 > 0 > 3 > 0 > -0.41435014101207057 > 46.53 > 70.32430000000001 > 0 > 1 > 3.73e-01 g/l > (4aR,5R,8aR)-5-hydroxy-3,5,8a-trimethyl-4H,4aH,6H,7H,8H-naphtho[2,3-b]furan-2-one > 0 > NP0139301 > Shizukolidol $$$$