KEGG   COMPOUND: C10851
Entry
C10851                      Compound                               
Name
Calystegin B2;
Calystegine B2
Formula
C7H13NO4
Exact mass
175.0845
Mol weight
175.1824
Structure
Module
M00893  Lovastatin biosynthesis, malonyl-CoA => lovastatin acid
Other DBs
CAS: 127414-85-1
PubChem: 13034
ChEBI: 3337
KNApSAcK: C00002283
3DMET: B05497
NIKKAJI: J657.463G
LinkDB
KCF data

ATOM        12
            1   O1a O    29.3284  -18.4590
            2   C1y C    27.9474  -18.6541
            3   C1y C    26.9929  -17.2003
            4   C1y C    26.9929  -18.1967
            5   C1y C    25.5972  -17.2003
            6   C1z C    25.5144  -18.1967
            7   N1x N    24.7905  -16.3204
            8   C1x C    24.6066  -17.7788
            9   C1x C    24.0908  -18.8369
            10  O1a O    26.9792  -19.5211
            11  O1a O    25.5012  -19.5211
            12  O1a O    27.6549  -15.9741
BOND        13
            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
            13    3  12 1 #Down

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