CDK 1030232201 20 22 0 0 0 0 0 0 0 0999 V2000 0.6074 -1.2378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2135 -1.2094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -2.0063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0104 -0.9959 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7969 -0.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6628 -0.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7969 -2.2198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5834 -2.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5938 -1.5792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3803 -2.3761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4177 -1.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8894 -0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0722 -2.8255 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2512 -3.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7133 -2.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7043 -0.6799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1153 -3.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 3 2 1 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 1 0 0 0 4 9 1 1 0 0 0 4 10 1 0 0 0 0 11 5 1 0 0 0 0 7 12 1 0 0 0 0 13 10 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 1 0 0 0 16 13 1 0 0 0 0 13 17 1 1 0 0 0 14 18 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 6 0 0 0 5 6 1 1 0 0 0 11 13 1 0 0 0 0 16 18 1 0 0 0 0 M END > CHEBI:213575 > 6,13-dihydroxypunctaporonin A > 2 > (2R,2aS,3S,4aS,5R,7aS,7bR)-2,7a-bis(hydroxymethyl)-2,4a-dimethyl-3,4,5,7b-tetrahydro-1H-cyclobuta[e]indene-2a,3,5-triol > C15H24O5 > 284.352 > 284.16237 > 0 > O[C@]12[C@](C[C@@H]1[C@]3(C=C[C@H]([C@]3(C[C@@H]2O)C)O)CO)(CO)C > InChI=1S/C15H24O5/c1-12(7-16)5-9-14(8-17)4-3-10(18)13(14,2)6-11(19)15(9,12)20/h3-4,9-11,16-20H,5-8H2,1-2H3/t9-,10-,11+,12-,13-,14+,15-/m1/s1 > MTICTULSJVBRKF-LLMNZUDISA-N $$$$