Mrv1652308231921022D 15 15 0 0 0 0 999 V2000 1.4289 0.0000 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 0.7145 -0.4125 0.0000 C 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 1.4289 2.4750 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 1.4289 3.3000 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 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 3.7125 0.0000 O 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 0.0000 2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 6 4 1 0 0 0 0 7 3 2 0 0 0 0 8 5 1 0 0 0 0 9 6 2 0 0 0 0 9 7 1 0 0 0 0 10 7 1 0 0 0 0 11 8 2 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 4 1 0 0 0 0 15 5 1 0 0 0 0 M END > M2MDB001043 > M2MDB > [H]\C(=C(\[H])C1=C(O)C(O)=CC=C1)C(O)=O > InChI=1S/C9H8O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-5,10,13H,(H,11,12)/b5-4+ > SIUKXCMDYPYCLH-SNAWJCMRSA-N > C9H8O4 > 180.159 > 180.042258738 > 4 > 21 > 17.205713892078023 > 1 > 3 > 0 > 1 > (2E)-3-(2,3-dihydroxyphenyl)prop-2-enoic acid > 1.66 > 1.5289556166666665 > -2.04 > 0 > 1 > -1 > 9.256929884535694 > 3.6744605168479487 > -6.301002878847684 > 77.75999999999999 > 47.021699999999996 > 2 > 1 > 1.66e+00 g/l > trans-2,3-dihydroxycinnamate > 0 > ECMDB20197 > Trans-2,3-Dihydroxycinnamate $$$$