Mrv1652305261923552D 12 11 0 0 0 0 999 V2000 10.4139 -10.9515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 -12.1891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9834 -11.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6980 -10.1265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5559 -10.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2704 -11.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8414 -11.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9849 -10.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1269 -10.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 -11.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4124 -11.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6980 -10.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 10 2 0 0 0 0 3 12 1 0 0 0 0 4 12 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 2 0 0 0 0 11 12 1 0 0 0 0 M END > FDB021965 > foodb > OC(=O)CCCC\C=C\C(O)=O > InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6-8(11)12/h3,5H,1-2,4,6H2,(H,9,10)(H,11,12)/b5-3+ > BNTPVRGYUHJFHN-HWKANZROSA-N > C8H12O4 > 172.1785 > 172.073558872 > 4 > 24 > 17.606335881515626 > 1 > 2 > 0 > 1 > (2E)-oct-2-enedioic acid > 1.14 > 1.3776151823333334 > -1.92 > 0 > 0 > -2 > 4.910202421504832 > 4.145957184965917 > 74.6 > 43.03430000000001 > 6 > 1 > 2.06e+00 g/l > (E)-oct-2-enedioic acid > 0 > FDB021965 > 2-Octenedioic acid $$$$