42607687 CDK 1203211124 31 34 0 0 0 0 0 0 0 0999 V2000 4.8266 0.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5402 -2.3454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7179 -0.3997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0185 1.4539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4141 -0.9164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1592 -0.1318 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8490 -1.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0072 -1.3916 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2391 -0.9164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3216 0.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4575 -2.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7416 -0.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4940 -0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 0.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8041 -1.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3317 0.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6499 -1.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7155 -2.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6461 -1.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9116 -0.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5775 0.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3825 1.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0851 -2.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6283 1.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4332 1.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9922 1.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6791 2.7839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7971 1.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4839 2.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0430 2.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7043 -1.5547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 2 15 1 0 0 0 0 2 23 1 0 0 0 0 3 20 1 0 0 0 0 4 21 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 31 1 1 0 0 0 6 10 1 0 0 0 0 6 14 1 1 0 0 0 7 8 1 0 0 0 0 8 11 1 1 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 15 2 0 0 0 0 10 12 2 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 13 16 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 2 0 0 0 0 28 30 2 0 0 0 0 29 30 1 0 0 0 0 M END > CHEBI:187501 > Adunctin B > 2 > 1-[(5aS,8S,9aS)-3-hydroxy-1-methoxy-5a-methyl-8-propan-2-yl-9,9a-dihydro-8H-dibenzouran-4-yl]-3-phenylpropan-1-one > C26H30O4 > 406.522 > 406.21441 > 0 > O1[C@@]2([C@@](C[C@@H](C(C)C)C=C2)(C=3C1=C(C(O)=CC3OC)C(=O)CCC4=CC=CC=C4)[H])C > InChI=1S/C26H30O4/c1-16(2)18-12-13-26(3)19(14-18)23-22(29-4)15-21(28)24(25(23)30-26)20(27)11-10-17-8-6-5-7-9-17/h5-9,12-13,15-16,18-19,28H,10-11,14H2,1-4H3/t18-,19-,26-/m0/s1 > HQPBWCKPGXUXIH-DGUDUIIESA-N > LMPK12120506 $$$$