KEGG   COMPOUND: C09010Help
Entry
C09010                      Compound                               

Name
Khellin
Formula
C14H12O5
Exact mass
260.0685
Mol weight
260.2421
Structure
Mol fileKCF fileDB search
Pathway
map01060  Biosynthesis of plant secondary metabolites
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1311 Benzopyranoids
    C09010  Khellin
Phytochemical compounds [BR:br08003]
 Polyketides
  Pyrones
   Chromones
    C09010  Khellin
BRITE hierarchy
Other DBs
CAS: 82-02-0
PubChem: 11202
ChEBI: 6133
ChEMBL: CHEMBL44746
LIPIDMAPS: LMPK13110001
KNApSAcK: C00002431
3DMET: B02609
NIKKAJI: J24.827D
LinkDB All DBs
KCF data Show

ATOM        19
            1   C8y C    25.3275  -17.0141
            2   C8y C    25.3218  -15.6152
            3   C8y C    24.1153  -17.7251
            4   C8y C    26.5399  -17.7077
            5   C8y C    24.0977  -14.9218
            6   O2x O    26.5282  -14.9158
            7   C8y C    22.9088  -17.0374
            8   O2a O    24.1270  -19.1239
            9   C8x C    27.7462  -17.0024
            10  O5x O    26.5399  -19.1123
            11  C8y C    22.9029  -15.6386
            12  O2a O    24.0920  -13.5229
            13  C8y C    27.7404  -15.6095
            14  C8x C    21.5741  -17.4745
            15  C1a C    22.9262  -19.8408
            16  O2x O    21.5624  -15.2015
            17  C1a C    25.2984  -12.8119
            18  C1a C    28.9527  -14.9042
            19  C8x C    20.7406  -16.3439
BOND        21
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 2
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15   11  16 1
            16   12  17 1
            17   13  18 1
            18   14  19 2
            19    7  11 1
            20    9  13 2
            21   16  19 1

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