Mrv0541 03311516252D          

 14 15  0  0  0  0            999 V2000
    2.6184   -0.4559    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3329   -0.0434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3329    0.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6185    1.1941    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9040    0.7816    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9040   -0.0434    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6185   -1.2809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6184    2.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3329    2.4316    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0474    2.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3329    3.2565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1896    0.3691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0474    1.1941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7619    2.4316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  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
  5  6  1  0  0  0  0
  1  7  1  1  0  0  0
  4  8  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  6  0  0  0
  6 12  1  6  0  0  0
  5 12  1  6  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
M  END
> <ID>
CHEBI:85360

> <NAME>
L-dihydroanticapsin

> <DEFINITION>
An L-alanine derivative in which one of the methyl hydrogens of L-alanine is replaced by a 5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl group.

> <STAR>
3

> <IUPAC_NAME>
3-[(1R,2S,5R,6S )-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-L-alanine

> <FORMULA>
C9H15NO4

> <MASS>
201.21970

> <MONOISOTOPIC_MASS>
201.10011

> <CHARGE>
0

> <SMILES>
N[C@@H](C[C@@H]1CC[C@@H](O)[C@@H]2O[C@H]12)C(O)=O

> <INCHI>
InChI=1S/C9H15NO4/c10-5(9(12)13)3-4-1-2-6(11)8-7(4)14-8/h4-8,11H,1-3,10H2,(H,12,13)/t4-,5-,6+,7+,8-/m0/s1

> <INCHIKEY>
YMLXTGCTHGQQKS-TXXZRHAASA-N

> <REAXYS_REGISTRY_NUMBER>
27406393

> <METACYC_ACCESSION>
CPD-17531

> <PUBMED_CITATION>
23317005

$$$$