CDK 1030232202 31 33 0 0 0 0 0 0 0 0999 V2000 6.3741 0.2597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7693 -0.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0125 -1.0897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5477 -1.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7251 -1.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0125 -2.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1639 -1.2283 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3671 -2.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6545 -3.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8352 -2.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3755 -1.4715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5444 -2.6380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8318 -3.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1931 -1.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0158 -1.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4806 -2.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3738 -0.8432 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 0.7145 0.8250 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 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 4 7 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 2 0 0 0 0 13 7 1 0 0 0 0 8 14 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 11 17 2 0 0 0 0 12 18 1 0 0 0 0 13 19 1 6 0 0 0 14 20 1 0 0 0 0 14 21 2 0 0 0 0 16 22 1 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 22 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 26 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 8 13 1 0 0 0 0 12 17 1 0 0 0 0 15 21 1 0 0 0 0 M END > CHEBI:218385 > Varioxiranol I > 2 > (11R)-1,7,11-trihydroxy-9-methyl-10-(3-methylbut-2-enoxy)-4-(3-methylbut-2-enyl)-11H-benzo[c][1]benzoxepin-6-one > C25H28O6 > 424.493 > 424.18859 > 0 > O=C1OC2=C(C(O)=CC=C2CC=C(C)C)[C@@H](C=3C1=C(O)C=C(C)C3OCC=C(C)C)O > InChI=1S/C25H28O6/c1-13(2)6-7-16-8-9-17(26)20-22(28)21-19(25(29)31-24(16)20)18(27)12-15(5)23(21)30-11-10-14(3)4/h6,8-10,12,22,26-28H,7,11H2,1-5H3/t22-/m0/s1 > BQQHWQSIRBABAE-QFIPXVFZSA-N $$$$