Mrv1652309042206132D 10 9 0 0 1 0 999 V2000 3.9039 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6184 2.6664 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3329 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 2 6 1 0 0 0 0 6 7 1 6 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 M END > NP0187966 > NP-MRD > CCCC(=C)[C@H](N)C(O)=O > InChI=1S/C7H13NO2/c1-3-4-5(2)6(8)7(9)10/h6H,2-4,8H2,1H3,(H,9,10)/t6-/m0/s1 > ZJMPUKNPMYTOOX-LURJTMIESA-N > C7H13NO2 > 143.186 > 143.094628663 > 3 > 23 > 15.31860001878357 > 1 > 2 > 0 > 0 > (2S)-2-amino-3-methylidenehexanoic acid > -1.331264431872335 > 0 > 0 > 0 > 2.6992785936601873 > 9.00200777097413 > 63.32000000000001 > 38.3954 > 4 > 1 > (2S)-2-amino-3-methylidenehexanoic acid > 0 > NP0187966 > (2s)-2-amino-3-methylidenehexanoic acid $$$$