Mrv1652309032221152D 14 14 0 0 0 0 999 V2000 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 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 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 O 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 0.0000 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 -0.7145 1.2375 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 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 5 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 3 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > NP0180842 > NP-MRD > OC(=O)\C=C\C1=CC=C(O)C(C=O)=C1 > InChI=1S/C10H8O4/c11-6-8-5-7(1-3-9(8)12)2-4-10(13)14/h1-6,12H,(H,13,14)/b4-2+ > OIRQJQBTHILALM-DUXPYHPUSA-N > C10H8O4 > 192.17 > 192.042258738 > 4 > 22 > 18.543934335159385 > 1 > 2 > 0 > 1 > (2E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enoic acid > 2.195023283 > 0 > 1 > -1 > 8.403590472815129 > 3.569639061140705 > -5.982836587707205 > 74.60000000000001 > 51.6248 > 3 > 1 > (2E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enoic acid > 0 > NP0180842 > (2e)-3-(3-formyl-4-hydroxyphenyl)prop-2-enoic acid $$$$