KEGG   COMPOUND: C10487
Entry
C10487                      Compound                               

Name
Prenyl caffeate
Formula
C14H16O4
Exact mass
248.1049
Mol weight
248.2744
Structure
Other DBs
CAS: 118971-61-2
PubChem: 12670
ChEBI: 8393
ChEMBL: CHEMBL471184
KNApSAcK: C00002768
PDB-CCD: PWH[PDBj]
3DMET: B03892
NIKKAJI: J367.543B
KCF data

ATOM        18
            1   C8y C    25.5927  -18.8720
            2   C8x C    24.3628  -18.1952
            3   C2b C    26.7833  -18.1436
            4   C8x C    25.6258  -20.2716
            5   C8x C    23.1668  -18.9295
            6   C2b C    28.0070  -18.8209
            7   C8y C    24.4293  -21.0000
            8   C8y C    23.2000  -20.3289
            9   C7a C    29.2034  -18.0924
            10  O1a O    22.0093  -21.0574
            11  O6a O    29.1759  -16.6926
            12  O7a O    30.4330  -18.7691
            13  O1a O    24.4623  -22.3952
            14  C1b C    31.6320  -18.0449
            15  C2b C    32.8434  -18.7443
            16  C2c C    34.0546  -18.0449
            17  C1a C    35.2471  -18.7339
            18  C1a C    34.0545  -16.6604
BOND        18
            1     4   7 1
            2     5   8 1
            3     6   9 1
            4     8  10 1
            5     9  11 2
            6     9  12 1
            7     7   8 2
            8     1   2 1
            9     1   3 1
            10    7  13 1
            11    1   4 2
            12    2   5 2
            13    3   6 2
            14   12  14 1
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   16  18 1

» Japanese version

DBGET integrated database retrieval system