KEGG   COMPOUND: C11673Help
Entry
C11673                      Compound                               

Name
Geniposidic acid
Formula
C16H22O10
Exact mass
374.1213
Mol weight
374.3399
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Monoterpenoid biosynthesis
Biosynthesis of secondary metabolites
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Monoterpenoids (C10)
   Iridoids
    C11673  Geniposidic acid
BRITE hierarchy
Other DBs
CAS: 
27741-01-1
PubChem: 
ChEBI: 
ChEMBL: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        26
            1   C1y C    25.9976  -14.7419
            2   C1y C    25.9976  -13.3622
            3   C1y C    27.1768  -15.4435
            4   C2y C    24.6830  -15.1661
            5   C2y C    27.1768  -12.6840
            6   C1x C    24.6889  -12.9496
            7   O2a O    27.1523  -17.5073
            8   O2x O    28.3737  -14.7419
            9   C2x C    23.8872  -14.0464
            10  C1b C    24.2518  -16.4573
            11  C2x C    28.3737  -13.3622
            12  C6a C    27.1711  -11.3231
            13  C1y C    25.8973  -18.5561
            14  O6a O    28.3562  -10.6446
            15  O6a O    25.9860  -10.6505
            16  O2x O    24.7063  -17.8849
            17  C1y C    25.8973  -19.9241
            18  C1y C    23.5269  -18.5689
            19  C1y C    24.7063  -20.6083
            20  O1a O    27.0824  -20.6083
            21  C1y C    23.5269  -19.9241
            22  C1b C    22.3535  -17.8849
            23  O1a O    24.7063  -21.9705
            24  O1a O    22.3535  -20.6083
            25  O1a O    21.3165  -18.7566
            26  O1a O    22.8867  -16.7360
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 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
            28   10  26 1

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