KEGG   COMPOUND: C16700
Entry
C16700                      Compound                               
Name
3,4-Dihydroxybenzaldehyde;
Protocatechualdehyde
Formula
C7H6O3
Exact mass
138.0317
Mol weight
138.12
Structure
Reaction
R08435 R08436
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01063  Biosynthesis of alkaloids derived from shikimate pathway
Other DBs
CAS: 139-85-5
PubChem: 96023224
ChEBI: 50205
KNApSAcK: C00018099
PDB-CCD: H6N[PDBj]
NIKKAJI: J5.647B
LinkDB
KCF data

ATOM        10
            1   C8y C    26.1783  -19.5278
            2   C8y C    26.1783  -20.9276
            3   C8x C    27.3905  -21.6275
            4   C8x C    28.6028  -20.9276
            5   C8y C    28.6028  -19.5278
            6   C8x C    27.3905  -18.8279
            7   O1a O    24.9660  -18.8279
            8   O1a O    24.9660  -21.6275
            9   C4a C    29.8338  -18.8169
            10  O4a O    31.0415  -19.5141
BOND        10
            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     1   7 1
            8     2   8 1
            9     5   9 1
            10    9  10 2

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