CDK 1029232203 21 24 0 0 0 0 0 0 0 0999 V2000 4.9851 0.8774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1933 1.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9982 1.9108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5967 0.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2065 2.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8049 0.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6098 1.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2083 0.2015 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8181 1.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2831 -0.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4165 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9803 -0.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2214 1.2349 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6302 -1.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3987 1.2970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8670 -0.8378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0855 0.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2259 -1.3570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7162 0.3387 0.0000 O 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 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 5 7 1 0 0 0 0 8 6 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 6 0 0 0 13 9 1 0 0 0 0 10 14 2 0 0 0 0 15 11 1 0 0 0 0 13 16 1 6 0 0 0 17 14 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 1 0 0 0 17 20 1 6 0 0 0 18 21 2 0 0 0 0 6 7 1 0 0 0 0 11 13 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 M END > CHEBI:204772 > (1S,9R,12R,13S)-13-hydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7,14-triene-4,11-dione > 2 > (1S,9R,12R,13S)-13-hydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7,14-triene-4,11-dione > C16H16O5 > 288.299 > 288.09977 > 0 > O=C1OCC2=C[C@H]3OC([C@@]4(C3[C@@](C2=C1)(C=C[C@@H]4O)C)C)=O > InChI=1S/C16H16O5/c1-15-4-3-11(17)16(2)13(15)10(21-14(16)19)5-8-7-20-12(18)6-9(8)15/h3-6,10-11,13,17H,7H2,1-2H3/t10-,11+,13?,15-,16+/m1/s1 > HBGYEPXELMLLBL-QSGGJWILSA-N $$$$