Mrv2104 10122212232D 25 26 0 0 0 0 999 V2000 18.8565 -11.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8565 -12.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5710 -13.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2855 -12.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2855 -11.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5710 -11.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1420 -11.4321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0111 -11.4257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5710 -13.9072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0111 -13.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7213 -12.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0109 -13.9073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1420 -13.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4375 -12.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7377 -13.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0358 -12.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7375 -13.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4339 -13.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1552 -12.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8760 -13.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5899 -12.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5904 -11.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8697 -11.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1557 -11.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2844 -11.4550 0.0000 O 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 5 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 2 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 11 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 19 24 1 0 0 0 0 22 25 1 0 0 0 0 M END > PHUB002504 > phytohub > CC(C)=CCC1=C(O)C=C(O)C(C(=O)\C=C\C2=CC=C(O)C=C2)=C1O > InChI=1S/C20H20O5/c1-12(2)3-9-15-17(23)11-18(24)19(20(15)25)16(22)10-6-13-4-7-14(21)8-5-13/h3-8,10-11,21,23-25H,9H2,1-2H3/b10-6+ > FUSADYLVRMROPL-UXBLZVDNSA-N > C20H20O5 > 340.375 > 340.131073744 > 3.53 > -4.50 > 1.08e-02 g/l $$$$