42607529 CDK 1202211637 32 34 0 0 0 0 0 0 0 0999 V2000 9.3041 0.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4356 0.7356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5603 2.1837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 2.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 -0.0894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 -0.0894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7855 0.7356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6106 0.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3041 1.3996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5234 1.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 0.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6106 -0.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6106 1.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 1.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 -0.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 1.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 0.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 1.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 1.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 1.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 1.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -0.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 0.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -0.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 1.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 0.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 1.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -1.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -2.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 -2.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -2.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 0.1110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 9 3 1 1 0 0 0 4 20 2 0 0 0 0 5 23 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 32 1 1 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 23 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 26 2 0 0 0 0 24 28 1 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 M END > CHEBI:185810 > Paratocarpin G > 2 > (E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-[(2R,3R)-3-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzouran-5-yl]prop-2-en-1-one > C25H28O6 > 424.493 > 424.18859 > 0 > O1[C@@](C(O)(C)C)([C@H](O)C2=C1C=CC(=C2)/C=C/C(=O)C3=C(O)C(CC=C(C)C)=C(O)C=C3)[H] > InChI=1S/C25H28O6/c1-14(2)5-8-16-20(27)11-9-17(22(16)28)19(26)10-6-15-7-12-21-18(13-15)23(29)24(31-21)25(3,4)30/h5-7,9-13,23-24,27-30H,8H2,1-4H3/b10-6+/t23-,24-/m1/s1 > JNJNAVYFPDNHIC-HKOZKTRXSA-N > LMPK12120037 $$$$