KEGG   COMPOUND: C11636Help
Entry
C11636                      Compound                               

Name
7-Deoxyloganate
Formula
C16H24O9
Exact mass
360.142
Mol weight
360.3564
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00902  Monoterpenoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.14.85      2.4.1.323
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Monoterpenoids (C10)
   Iridoids
    C11636  7-Deoxyloganate
BRITE hierarchy
Other DBs
PubChem: 13801
ChEBI: 2260
KNApSAcK: C00036651
3DMET: B04278
NIKKAJI: J617.358F
KCF data Show

ATOM        25
            1   C1y C    26.0632  -14.7848
            2   C1y C    26.0632  -13.4054
            3   C1y C    27.2422  -15.4863
            4   C1y C    24.7487  -15.2090
            5   C2y C    27.2422  -12.7272
            6   C1x C    24.7546  -12.9929
            7   O2a O    27.2177  -17.5498
            8   O2x O    28.4389  -14.7848
            9   C1x C    23.9531  -14.0895
            10  C1a C    24.3176  -16.5000
            11  C2x C    28.4389  -13.4054
            12  C6a C    27.2364  -11.3666
            13  C1y C    25.9629  -18.5984
            14  O6a O    28.4213  -10.6882
            15  O6a O    26.0515  -10.6941
            16  O2x O    24.7720  -17.9273
            17  C1y C    25.9629  -19.9662
            18  C1y C    23.5929  -18.6112
            19  C1y C    24.7720  -20.6502
            20  O1a O    27.1478  -20.6502
            21  C1y C    23.5929  -19.9662
            22  C1b C    22.4196  -17.9273
            23  O1a O    24.7720  -22.0123
            24  O1a O    22.4196  -20.6502
            25  O1a O    21.3828  -18.7988
BOND        27
            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   12  14 1
            14   12  15 2
            15   13  16 1
            16   13  17 1
            17   16  18 1
            18   17  19 1
            19   17  20 1 #Down
            20   18  21 1
            21   18  22 1 #Up
            22   19  23 1 #Up
            23   21  24 1 #Down
            24   22  25 1
            25    6   9 1
            26    8  11 1
            27   19  21 1

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