Mrv1533004171503032D 14 14 0 0 0 0 999 V2000 -0.8612 7.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8612 6.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1467 6.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1467 5.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1467 4.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1467 4.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1467 3.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1467 2.3518 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 1.2352 0.6294 0.0000 O 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 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 4 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 3 0 0 0 0 5 6 1 0 0 0 0 6 7 3 0 0 0 0 8 7 1 4 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 10 14 2 0 0 0 0 M END > NP0137194 > NP-MRD > CC=CC#CC#CC=CC1=CC=CO1 > InChI=1S/C13H10O/c1-2-3-4-5-6-7-8-10-13-11-9-12-14-13/h2-3,8-12H,1H3 > GRBKWAXRYIITKG-UHFFFAOYSA-N > C13H10O > 182.222 > 182.073164942 > 0 > 24 > 21.906799146006442 > 1 > 0 > 0 > 1 > 2-(nona-1,7-dien-3,5-diyn-1-yl)furan > 4.65 > 3.6317331853333332 > -4.04 > 0 > 1 > 0 > -2.8702618571209686 > 13.14 > 61.25410000000001 > 4 > 1 > 1.65e-02 g/l > 2-(nona-1,7-dien-3,5-diyn-1-yl)furan > 1 > NP0137194 > Atractylodin $$$$