6440849 -OEChem-03292403112D 20 17 0 0 0 0 0 0 0999 V2000 0.5369 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 5.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 8.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2389 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2389 8.3600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 8.3600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 7.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 10 1 0 0 0 0 2 14 1 0 0 0 0 3 9 2 0 0 0 0 4 10 2 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 M END > 6440849 > 1 > 119 > 6 > 4 > 2 > AAADccBjOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAQCAAACACAgAAACAAAAgCIACDSCAAAAAAAAAAICAAAAEAABAAAAAAAEAAAAAAAEYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > ammonia;fumaric acid > ammonia;(E)-2-butenedioic acid > azane;(E)-but-2-enedioic acid > azane;(E)-but-2-enedioic acid > azane;(E)-but-2-enedioic acid > ammonia;fumaric acid > InChI=1S/C4H4O4.2H3N/c5-3(6)1-2-4(7)8;;/h1-2H,(H,5,6)(H,7,8);2*1H3/b2-1+;; > CKKXWJDFFQPBQL-SEPHDYHBSA-N > 150.06405680 > C4H10N2O4 > 150.13 > C(=CC(=O)O)C(=O)O.N.N > C(=C/C(=O)O)\C(=O)O.N.N > 76.6 > 150.06405680 > 0 > 10 > 0 > 0 > 1 > 0 > 0 > 3 > -1 > 1 5 255 $$$$