Mrv1533004201506262D 21 22 0 0 0 0 999 V2000 -1.0005 -3.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8446 -2.6026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0651 -2.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0908 -1.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8704 -1.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0263 -0.4422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4940 -1.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2736 -1.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8972 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4295 -0.7123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2090 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3649 0.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8327 -0.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6768 -1.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3004 -2.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1445 -3.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3649 -3.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7413 -2.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9618 -3.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3381 -2.6026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5586 -2.8726 0.0000 C 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 5 6 1 0 0 0 0 5 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 7 20 1 0 0 0 0 20 21 2 0 0 0 0 3 21 1 0 0 0 0 M END > NP0327427 > NP-MRD > COC1=CC(O)=C2C(CCCCCCCC(C)OC2=O)=C1 > InChI=1S/C17H24O4/c1-12-8-6-4-3-5-7-9-13-10-14(20-2)11-15(18)16(13)17(19)21-12/h10-12,18H,3-9H2,1-2H3 > XITNBSAHLJLWEN-UHFFFAOYSA-N > C17H24O4 > 292.375 > 292.167459253 > 3 > 45 > 32.63046161584294 > 1 > 1 > 0 > 1 > 14-hydroxy-12-methoxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclododecin-1-one > 4.45 > 5.089361713666667 > -3.99 > 0 > 2 > 0 > 9.741220801818924 > -4.0553054027604345 > 55.760000000000005 > 81.8618 > 1 > 0 > 2.96e-02 g/l > 14-hydroxy-12-methoxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-2-benzoxacyclododecin-1-one > 0 > NP0327427 > 14-hydroxy-12-methoxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-2-benzoxacyclododecin-1-one $$$$