Mrv1652306242117263D 21 22 0 0 0 0 999 V2000 -4.0535 -0.3840 -0.3052 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8073 -0.2901 -0.3989 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1053 -1.3702 -1.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7925 -1.5341 -1.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2183 -0.7583 -0.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3483 -1.4814 -0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3979 -0.9043 0.6742 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3836 0.3976 1.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7128 1.1453 1.9538 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 1.1525 0.7793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2394 2.4554 1.1973 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1757 0.5783 0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9684 1.4660 -0.1778 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2153 0.8507 0.1889 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7007 -2.0335 -1.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3884 -2.3788 -1.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -2.5156 -0.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2779 -1.5071 0.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 3.1290 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9915 1.5586 -1.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9149 2.4241 0.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 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 13 14 1 0 0 0 0 14 2 1 0 0 0 0 12 5 1 0 0 0 0 3 15 1 0 0 0 0 4 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 11 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 M END > NP0016046 > NP-MRD > [H]OC1=C2C(=C([H])C([H])=C1Cl)C([H])=C([H])C(=O)OC2([H])[H] > InChI=1S/C10H7ClO3/c11-8-3-1-6-2-4-9(12)14-5-7(6)10(8)13/h1-4,13H,5H2 > WHBSVFFDUQPHNS-UHFFFAOYSA-N > C10H7ClO3 > 210.61 > 210.0083718 > 2 > 21 > 19.64632193969198 > 1 > 1 > 0 > 1 > 8-chloro-9-hydroxy-1,3-dihydro-2-benzoxepin-3-one > 2.50 > 2.567020305333333 > -2.39 > 0 > 2 > 0 > 7.4310353191019045 > -6.8197164874968825 > 46.53 > 53.16930000000001 > 0 > 1 > 8.61e-01 g/l > 8-chloro-9-hydroxy-1H-2-benzoxepin-3-one > 0 > NP0016046 > 8-chloroxylarinol A $$$$