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
map00902  Monoterpenoid biosynthesis
map01110  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: 4678
ChEBI: 18052 30632
ChEMBL: CHEMBL1081585
KNApSAcK: C00010604
PDB-CCD: EQV[PDBj]
3DMET: B01457
NIKKAJI: J15.893C
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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