KEGG   COMPOUND: C01512Help
Entry
C01512                      Compound                               

Name
Loganate;
Loganic acid
Formula
C16H24O10
Exact mass
376.1369
Mol weight
376.3558
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Monoterpenoid biosynthesis
Biosynthesis of secondary metabolites
Enzyme
1.3.3.9         1.14.13.74      2.1.1.50
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Monoterpenoids (C10)
   Iridoids
    C01512  Loganate
BRITE hierarchy
Other DBs
CAS: 
22255-40-9
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        26
            1   C1y C    26.1194  -14.7123
            2   C1y C    26.1194  -13.3402
            3   C1y C    27.2981  -15.4043
            4   C1y C    24.8161  -15.1300
            5   C2y C    27.2981  -12.6607
            6   C1x C    24.8224  -12.9225
            7   O2a O    27.2732  -17.4997
            8   O2x O    28.4828  -14.7123
            9   C1y C    24.0242  -14.0200
            10  C1a C    24.3922  -16.4208
            11  C2x C    28.4828  -13.3402
            12  C6a C    27.2918  -11.3074
            13  C1y C    25.8076  -18.5848
            14  O1a O    22.6649  -14.0075
            15  O6a O    28.4703  -10.6278
            16  O6a O    26.1133  -10.6340
            17  O2x O    24.6228  -17.9111
            18  C1y C    25.8076  -19.9378
            19  C1y C    23.4443  -18.5848
            20  C1y C    24.6228  -20.6237
            21  O1a O    26.9800  -20.6237
            22  C1y C    23.4443  -19.9378
            23  C1b C    22.2844  -17.9111
            24  O1a O    24.6228  -21.9769
            25  O1a O    22.2844  -20.6237
            26  O1a O    21.2431  -18.7842
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1 #Up
            7     3   8 1
            8     4   9 1
            9     4  10 1 #Up
            10    5  11 2
            11    5  12 1
            12   13   7 1 #Up
            13    9  14 1 #Up
            14   12  15 1
            15   12  16 2
            16   13  17 1
            17   13  18 1
            18   17  19 1
            19   18  20 1
            20   18  21 1 #Down
            21   19  22 1
            22   19  23 1 #Up
            23   20  24 1 #Up
            24   22  25 1 #Down
            25   23  26 1
            26    6   9 1
            27    8  11 1
            28   20  22 1

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