KEGG   COMPOUND: C11672Help
Entry
C11672                      Compound                               

Name
10-Deoxygeniposidic acid
Formula
C16H22O9
Exact mass
358.1264
Mol weight
358.3405
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00902  Monoterpenoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Monoterpenoids (C10)
   Iridoids
    C11672  10-Deoxygeniposidic acid
BRITE hierarchy
Other DBs
PubChem: 13837
ChEBI: 695
KNApSAcK: C00049601
3DMET: B04303
NIKKAJI: J471.970K
KCF data Show

ATOM        25
            1   C1y C    26.0349  -14.7710
            2   C1y C    26.0349  -13.3916
            3   C1y C    27.2139  -15.4725
            4   C2y C    24.7205  -15.1952
            5   C2y C    27.2139  -12.7135
            6   C1x C    24.7264  -12.9791
            7   O2a O    27.1894  -17.5360
            8   O2x O    28.4106  -14.7710
            9   C2x C    23.9248  -14.0757
            10  C1a C    24.2894  -16.4862
            11  C2x C    28.4106  -13.3916
            12  C6a C    27.2082  -11.3528
            13  C1y C    25.9346  -18.5846
            14  O6a O    28.3931  -10.6744
            15  O6a O    26.0233  -10.6804
            16  O2x O    24.7438  -17.9136
            17  C1y C    25.9346  -19.9524
            18  C1y C    23.5646  -18.5974
            19  C1y C    24.7438  -20.6364
            20  O1a O    27.1195  -20.6364
            21  C1y C    23.5646  -19.9524
            22  C1b C    22.3914  -17.9136
            23  O1a O    24.7438  -21.9985
            24  O1a O    22.3914  -20.6364
            25  O1a O    21.3546  -18.7850
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 2
            9     4  10 1
            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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