Ketcher 02201715472D 1   1.00000     0.00000     0

 11 11  0     1  0            999 V2000
   15.8349  -10.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8383  -10.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7022   -9.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3428  -11.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9751   -9.7696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5696  -10.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4370   -9.7904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5738  -11.2874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3044  -10.2908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4412   -8.7896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3349  -11.1444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  2  0     0  0
  3  6  1  0     0  0
  6  7  1  0     0  0
  6  8  1  1     0  0
  7  9  1  0     0  0
  7 10  2  0     0  0
  2  4  1  0     0  0
  1 11  1  1     0  0
M  END
> <ID>
CHEBI:6248

> <NAME>
(2S,4S)-hypoglycin A

> <DEFINITION>
A 2-amino-3-(2-methylenecyclopropyl)propanoic acid that has L configuration at the amino-bearing carbon and S configuration at the methylenecylopropyl centre.

> <STAR>
2

> <SYNONYM>
L-Hypoglycin; (+)-hypoglycin A

> <IUPAC_NAME>
3-[(1S)-2-methylenecyclopropyl]-L-alanine

> <FORMULA>
C7H11NO2

> <MASS>
141.168

> <MONOISOTOPIC_MASS>
141.07898

> <CHARGE>
0

> <SMILES>
[C@]1(C(=C)C1)(C[C@@H](C(O)=O)N)[H]

> <INCHI>
InChI=1S/C7H11NO2/c1-4-2-5(4)3-6(8)7(9)10/h5-6H,1-3,8H2,(H,9,10)/t5-,6-/m0/s1

> <INCHIKEY>
OOJZCXFXPZGUBJ-WDSKDSINSA-N

> <CAS_REGISTRY_NUMBER>
156-56-9

> <REAXYS_REGISTRY_NUMBER>
2936735

> <KEGG_COMPOUND_ACCESSION>
C08287

> <KNAPSACK_ACCESSION>
C00001372

$$$$