KEGG   COMPOUND: C09780
Entry
C09780                      Compound                               
Name
Genipin
Formula
C11H14O5
Exact mass
226.0841
Mol weight
226.2259
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Monoterpenoids (C10)
   Iridoids
    C09780  Genipin
Dietary phytochemicals [br08012.html]
 Other phytochemicals
  C09780
Other DBs
CAS: 6902-77-8
PubChem: 11968
ChEBI: 5298
KNApSAcK: C00000321
3DMET: B03277
NIKKAJI: J14.581E
KCF data

ATOM        16
            1   C1y C    25.1300  -17.4300
            2   C1y C    25.1300  -16.0300
            3   C2y C    26.4600  -17.8500
            4   C1y C    23.9400  -18.0600
            5   C2y C    23.9400  -15.2600
            6   C1x C    26.4600  -15.5400
            7   C2x C    27.3000  -16.6600
            8   O2x O    22.6800  -17.3600
            9   O1a O    23.9400  -19.4600
            10  C2x C    22.6800  -16.0300
            11  C7a C    23.9400  -13.8600
            12  O7a O    22.7500  -13.1600
            13  O6a O    25.1300  -13.1600
            14  C1a C    21.4900  -13.8600
            15  C1b C    26.8800  -19.1800
            16  O1a O    28.2800  -19.4600
BOND        17
            1     1   3 1
            2     1   4 1
            3     2   5 1
            4     2   6 1
            5     3   7 2
            6     4   8 1
            7     4   9 1 #Down
            8     5  10 2
            9     5  11 1
            10   11  12 1
            11   11  13 2
            12   12  14 1
            13    6   7 1
            14    8  10 1
            15    3  15 1
            16    1   2 1
            17   15  16 1

» Japanese version

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Ontology (1)   
   KEGG BRITE (1)   
Chemical substance (7)   
   PubChem (1)   
   ChEBI (1)   
   3DMET (1)   
   HMDB (1)   
   KNApSAcK (1)   
   MASSBANK (1)   
   NIKKAJI (1)   
All databases (8)   

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