KEGG   COMPOUND: C05904
Entry
C05904                      Compound                               
Name
Pelargonidin;
3,5,7-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;
3,4',5,7-Tetrahydroxyflavylium chloride;
Pelargonidin chloride;
Pelargonidol chloride
Formula
C15H11O5
Exact mass
271.0606
Mol weight
271.2448
Structure
Reaction
Pathway
map00941  Flavonoid biosynthesis
map00942  Anthocyanin biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00138  Flavonoid biosynthesis, naringenin => pelargonidin
Enzyme
1.3.1.77        1.14.20.4       2.4.1.115
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1201 Anthocyanidins
    C05904  Pelargonidin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Anthocyanidins and anthocyanins
    C05904  Pelargonidin
Secondary metabolites in pathway maps [br08011.html]
 Biosynthetic pathways and modules of secondary metabolites
  C05904
Dietary phytochemicals [br08012.html]
 Flavonoids
  C05904
Other DBs
CAS: 134-04-3
PubChem: 8192
ChEBI: 25863 28510
LIPIDMAPS: LMPK12010003
KNApSAcK: C00007232
3DMET: B01905
NIKKAJI: J244.797E
KCF data

ATOM        20
            1   C8y C    27.0329  -18.0170
            2   C8y C    27.0329  -16.6132
            3   C8x C    28.2437  -18.7188
            4   C8y C    25.7928  -18.7188
            5   O2x O    28.2437  -15.9406 #+
            6   C8x C    25.7928  -15.9406
            7   C8y C    29.4251  -18.0170
            8   C8x C    24.5763  -18.0170
            9   O1a O    25.7928  -20.1343
            10  C8y C    29.4251  -16.6132
            11  C8y C    24.5763  -16.6132
            12  O1a O    30.6358  -18.7188
            13  C8y C    30.6358  -15.9406
            14  O1a O    23.3596  -15.9406
            15  C8x C    31.8700  -16.6132
            16  C8x C    30.6358  -14.5252
            17  C8x C    33.0807  -15.9406
            18  C8x C    31.8700  -13.8233
            19  C8y C    33.0807  -14.5252
            20  O1a O    34.3032  -13.8233
BOND        22
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12   10  13 1
            13   11  14 1
            14   13  15 1
            15   13  16 2
            16   15  17 2
            17   16  18 1
            18   17  19 1
            19   19  20 1
            20    7  10 2
            21    8  11 1
            22   18  19 2

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