Marvin 06060711152D 11 10 0 0 0 0 999 V2000 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 10 8 1 0 0 0 0 8 5 2 0 0 0 0 5 6 1 0 0 0 0 6 9 2 0 0 0 0 6 7 1 0 0 0 0 10 11 1 0 0 0 0 M CHG 2 3 -1 7 -1 M END > CHEBI:17589 > 3-chloro-cis,cis-muconate(2-) > 3 > CHEBI:19980; CHEBI:11768 > 3-chloro-cis,cis-muconate > (2E,4Z)-3-chlorohexa-2,4-dienedioate > C6H3ClO4 > 174.53832 > 173.97308 > -2 > [O-]C(=O)\C=C/C(Cl)=C\C([O-])=O > InChI=1S/C6H5ClO4/c7-4(3-6(10)11)1-2-5(8)9/h1-3H,(H,8,9)(H,10,11)/p-2/b2-1-,4-3+ > ICMVYBXQDUXEEE-BXTBVDPRSA-L > 3606608 $$$$