ChEBI Marvin 09070516522D 13 12 0 0 0 0 999 V2000 5.8163 -3.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5295 -3.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2427 -3.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2427 -2.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9809 -2.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8163 -2.6634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1030 -3.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9682 -1.5174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7195 -2.6726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9559 -3.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9559 -4.7201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6691 -3.4761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3989 -3.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 7 1 1 0 0 0 0 6 1 2 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 10 3 1 0 0 0 0 5 4 1 0 0 0 0 9 5 1 0 0 0 0 8 5 2 0 0 0 0 11 10 2 0 0 0 0 12 10 1 0 0 0 0 13 12 1 0 0 0 0 M END > CHEBI:15663 > (2E)-3-(methoxycarbonyl)pent-2-enedioic acid > The 2-(methoxycarbonyl) derivative of (Z)-glutaconic acid. > 3 > CHEBI:10951; CHEBI:277 > (E)-3-(Methoxycarbonyl)pent-2-enedioate > (2E)-3-(methoxycarbonyl)pent-2-enedioic acid > C7H8O6 > 188.13482 > 188.03209 > 0 > COC(=O)C(\CC(O)=O)=C\C(O)=O > InChI=1S/C7H8O6/c1-13-7(12)4(2-5(8)9)3-6(10)11/h2H,3H2,1H3,(H,8,9)(H,10,11)/b4-2+ > BRYKYSQCLNCYQW-DUXPYHPUSA-N > C11514 $$$$