KEGG   COMPOUND: C12206
Entry
C12206                      Compound                               

Name
Caffeyl alcohol
Formula
C9H10O3
Exact mass
166.063
Mol weight
166.1739
Structure
Reaction
Pathway
map00940  Phenylpropanoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.1.1.195       2.1.1.68
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Monolignols
   Caffeate derivatives
    C12206  Caffeyl alcohol
Other DBs
PubChem: 14352
ChEBI: 86071
ChEMBL: CHEMBL1321891
KNApSAcK: C00007310
3DMET: B04446
NIKKAJI: J1.140.570C
LinkDB
KCF data

ATOM        12
            1   C8y C    28.0700  -19.5300
            2   C8x C    28.0700  -20.9300
            3   C8x C    26.8800  -21.6300
            4   C8y C    25.6200  -20.9300
            5   C8y C    25.6200  -19.5300
            6   C8x C    26.8800  -18.8300
            7   O1a O    24.4300  -18.8300
            8   O1a O    24.4300  -21.6300
            9   C2b C    29.2600  -18.8300
            10  C2b C    30.4500  -19.5300
            11  C1b C    31.6400  -18.8300
            12  O1a O    32.8581  -19.5201
BOND        12
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     4   8 1
            9     1   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 1

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