Mrv0541 05061305372D 19 19 0 0 0 0 999 V2000 3.4256 5.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -3.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4256 4.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7112 4.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7112 3.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9967 2.7643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2822 2.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3297 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0059 -1.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5678 1.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5678 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8264 -1.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1467 2.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3113 -0.9952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1619 -2.4163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0997 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 6 3 0 0 0 0 10 8 1 0 0 0 0 11 9 2 0 0 0 0 12 8 2 0 0 0 0 12 9 1 0 0 0 0 13 7 1 0 0 0 0 14 10 2 0 0 0 0 14 13 1 0 0 0 0 15 11 1 0 0 0 0 16 13 2 0 0 0 0 17 15 2 0 0 0 0 18 2 1 0 0 0 0 18 15 1 0 0 0 0 19 12 1 0 0 0 0 19 14 1 0 0 0 0 M END > HMDB0030948 > hmdb > CCCCC#CC(=O)C1=CC=C(O1)\C=C/C(=O)OC > InChI=1S/C15H16O4/c1-3-4-5-6-7-13(16)14-10-8-12(19-14)9-11-15(17)18-2/h8-11H,3-5H2,1-2H3/b11-9- > YFUCCGZVKDFREC-LUAWRHEFSA-N > C15H16O4 > 260.2851 > 260.104859 > 2 > 28.146527849157074 > 1 > 0 > 0 > 1 > methyl (2Z)-3-[5-(hept-2-ynoyl)furan-2-yl]prop-2-enoate > 3.27 > 3.6286604713333332 > -4.01 > 0 > 1 > 0 > -4.354474284408793 > 56.510000000000005 > 72.94429999999998 > 8 > 1 > 2.55e-02 g/l > methyl (2Z)-3-[5-(hept-2-ynoyl)furan-2-yl]prop-2-enoate > 0 > HMDB0030948 > Dihydrowyerone > Dihydrowyerone $$$$