KEGG   COMPOUND: C10850
Entry
C10850                      Compound                               

Name
Calystegin A3;
Calystegine A3
Formula
C7H13NO3
Exact mass
159.0895
Mol weight
159.183
Structure
Reaction
Pathway
map00960  Tropane, piperidine and pyridine alkaloid biosynthesis
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Tropane alkaloids
    C10850  Calystegin A3
Other DBs
CAS: 131580-36-4
PubChem: 13033
ChEBI: 3336
KNApSAcK: C00002282
3DMET: B05496
NIKKAJI: J890.605J
KCF data

ATOM        11
            1   O1a O    29.2844  -18.2422
            2   C1y C    27.9038  -18.4374
            3   C1x C    26.9496  -16.9841
            4   C1y C    26.9496  -17.9802
            5   C1y C    25.5543  -16.9841
            6   C1z C    25.4716  -17.9802
            7   N1x N    24.7479  -16.1045
            8   C1x C    24.5640  -17.5624
            9   C1x C    24.0485  -18.6201
            10  O1a O    26.9359  -19.3042
            11  O1a O    25.4584  -19.3042
BOND        12
            1     2   4 1
            2     3   5 1
            3     4   6 1
            4     5   7 1
            5     5   8 1
            6     6   9 1
            7     6   7 1
            8     8   9 1
            9     2   1 1 #Up
            10    4  10 1 #Down
            11    2   3 1
            12    6  11 1

» Japanese version

DBGET integrated database retrieval system