Mrv1652309102205502D 14 14 0 0 1 0 999 V2000 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 1 0 0 0 9 10 2 0 0 0 0 10 11 1 4 0 0 0 11 12 2 0 0 0 0 8 13 1 0 0 0 0 13 14 2 0 0 0 0 3 14 1 0 0 0 0 M END > NP0295043 > NP-MRD > COC1=C(OC)C=C[C@@H](C1)C=CC=O > InChI=1S/C11H14O3/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2/h3-7,9H,8H2,1-2H3/t9-/m0/s1 > DZLJIMATKPFJLN-VIFPVBQESA-N > C11H14O3 > 194.23 > 194.094294311 > 3 > 28 > 20.62831507103811 > 1 > 0 > 0 > 1 > 3-[(1R)-4,5-dimethoxycyclohexa-2,4-dien-1-yl]prop-2-enal > 0.3667440959999997 > 0 > 1 > 0 > -4.234849408621117 > 35.53 > 58.8641 > 4 > 1 > 3-[(1R)-4,5-dimethoxycyclohexa-2,4-dien-1-yl]prop-2-enal > 1 > NP0295043 > 3-[(1r)-4,5-dimethoxycyclohexa-2,4-dien-1-yl]prop-2-enal $$$$