Mrv1652308221902482D 16 16 0 0 0 0 999 V2000 0.0000 2.4750 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 -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 0.0000 -1.6500 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 0.7145 -0.4125 0.0000 C 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 0.0000 0.0000 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 -0.4125 0.0000 O 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 -0.7145 -2.8875 0.0000 O 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 1.4289 -1.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 2 2 0 0 0 0 5 3 2 0 0 0 0 7 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 9 7 2 0 0 0 0 10 5 1 0 0 0 0 11 9 1 0 0 0 0 12 10 2 0 0 0 0 13 10 1 0 0 0 0 14 1 1 0 0 0 0 14 8 1 0 0 0 0 15 3 1 0 0 0 0 16 5 1 0 0 0 0 M END > NP0229813 > NP-MRD > [H]\C(=C(\[H])C1=C(O)C=C(OC)C=C1)C(O)=O > InChI=1S/C10H10O4/c1-14-8-4-2-7(9(11)6-8)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ > IKNVEOZIOFMENG-HWKANZROSA-N > C10H10O4 > 194.186 > 194.057908802 > 4 > 24 > 19.342639803977868 > 1 > 2 > 0 > 1 > (2E)-3-(2-hydroxy-4-methoxyphenyl)prop-2-enoic acid > 1.59 > 1.6748496726666668 > -2.34 > 0 > 1 > -1 > 9.25819834025554 > 3.7659356626042944 > -4.8329052545138875 > 66.76 > 51.50400000000001 > 3 > 1 > 8.80e-01 g/l > (2E)-3-(2-hydroxy-4-methoxyphenyl)prop-2-enoic acid > 0 > NP0229813 > (2e)-3-(2-hydroxy-4-methoxyphenyl)prop-2-enoic acid $$$$