KEGG   COMPOUND: C10467Help
Entry
C10467                      Compound                               

Name
Irilone
Formula
C16H10O6
Exact mass
298.0477
Mol weight
298.247
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1205 Isoflavonoids
    C10467  Irilone
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Isoflavones
    C10467  Irilone
BRITE hierarchy
Other DBs
CAS: 
41653-81-0
PubChem: 
ChEBI: 
ChEMBL: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        22
            1   C8y C    24.0293  -16.9288
            2   C8y C    24.0350  -15.5251
            3   C8y C    25.2349  -17.6277
            4   C8y C    22.8237  -17.6277
            5   C8x C    22.8237  -14.8264
            6   O2x O    25.2523  -14.8321
            7   C8y C    26.4521  -16.9405
            8   O5x O    25.2290  -19.0313
            9   C8y C    21.6065  -16.9288
            10  O1a O    22.8237  -19.0255
            11  C8y C    21.6122  -15.5251
            12  C8x C    26.4579  -15.5368
            13  C8y C    27.6635  -17.6394
            14  O2x O    20.2727  -17.3539
            15  O2x O    20.2786  -15.0826
            16  C8x C    27.6518  -19.0372
            17  C8x C    28.8690  -16.9462
            18  C1x C    19.4515  -16.2183
            19  C8x C    28.8574  -19.7477
            20  C8x C    30.0804  -17.6510
            21  C8y C    30.0746  -19.0488
            22  O1a O    31.2860  -19.7594
BOND        25
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 2
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14   11  15 1
            15   13  16 2
            16   13  17 1
            17   14  18 1
            18   16  19 1
            19   17  20 2
            20   19  21 2
            21   21  22 1
            22    7  12 2
            23    9  11 1
            24   15  18 1
            25   20  21 1

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