CDK 1028232203 39 43 0 0 0 0 0 0 0 0999 V2000 3.0225 -1.9041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2689 -1.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6014 -2.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1826 -0.7481 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6876 -2.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8477 -1.7179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7346 -0.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9673 -1.0030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4414 -3.2095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0202 -3.3588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1803 -2.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7729 -0.9147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3222 0.5795 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5152 0.4080 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8034 -0.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1065 -4.1794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2665 -3.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5734 -1.8673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0079 -0.5619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1426 0.6657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5771 1.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 1.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6271 0.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6989 0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4009 -3.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3841 1.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0251 1.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1562 0.8496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2181 1.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5571 -0.5879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2800 2.7619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6661 2.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0870 2.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7279 3.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1409 2.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9210 3.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9829 4.1596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 3.8165 0.0000 C 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 4 2 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 1 0 0 0 9 4 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 2 0 0 0 0 6 13 1 0 0 0 0 14 7 1 0 0 0 0 15 9 1 0 0 0 0 9 16 1 1 0 0 0 11 17 1 0 0 0 0 11 18 2 0 0 0 0 12 19 1 0 0 0 0 13 20 2 0 0 0 0 14 21 1 6 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 6 0 0 0 16 25 1 0 0 0 0 18 26 1 0 0 0 0 22 27 2 0 0 0 0 22 28 1 0 0 0 0 23 29 2 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 28 32 1 0 0 0 0 30 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 2 0 0 0 0 33 36 1 0 0 0 0 33 37 2 0 0 0 0 35 38 1 0 0 0 0 37 39 1 0 0 0 0 9 13 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 28 30 2 0 0 0 0 35 37 1 0 0 0 0 M END > CHEBI:200512 > Hybocarpone > 2 > (1S,2S,11S,13S)-1,2-diethyl-5,7,8,11,13,16,17,19-octahydroxy-6,18-dimethyl-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-4(9),5,7,15(20),16,18-hexaene-3,10,14,21-tetrone > C26H24O13 > 544.465 > 544.12169 > 0 > O=C1C2=C(O)C(O)=C(C)C(=C2C(=O)[C@]3([C@@]1(O[C@]4(O)C(=O)C=5C(O)=C(O)C(=C(C5C([C@]34CC)=O)O)C)O)CC)O > InChI=1S/C26H24O13/c1-5-23-19(33)9-11(17(31)15(29)7(3)13(9)27)21(35)25(23,37)39-26(38)22(36)12-10(20(34)24(23,26)6-2)14(28)8(4)16(30)18(12)32/h27-32,37-38H,5-6H2,1-4H3/t23-,24-,25-,26-/m1/s1 > MZNMSRGMWTWFRF-VEYUFSJPSA-N $$$$