KEGG   COMPOUND: C17957Help
Entry
C17957                      Compound                               

Name
Irigenin
Formula
C18H16O8
Exact mass
360.0845
Mol weight
360.3148
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1205 Isoflavonoids
    C17957  Irigenin
BRITE hierarchy
Other DBs
CAS: 548-76-5
PubChem: 96024177
ChEBI: 81409
ChEMBL: CHEMBL487013
KNApSAcK: C00009485
NIKKAJI: J6.451C
LinkDB All DBs
KCF data Show

ATOM        26
            1   C8y C    14.5600  -17.8500
            2   C8y C    14.5600  -19.2500
            3   C8y C    13.3700  -19.9500
            4   C8y C    12.1100  -19.2500
            5   C8y C    12.1100  -17.8500
            6   C8x C    13.3700  -17.1500
            7   C8y C    15.7724  -19.9500
            8   C8y C    16.9849  -19.2500
            9   C8x C    16.9849  -17.8500
            10  O2x O    15.7724  -17.1500
            11  O5x O    15.7724  -21.3498
            12  O1a O    13.3872  -21.3499
            13  O2a O    10.9034  -19.9600
            14  O1a O    10.9034  -17.1400
            15  C8y C    18.2160  -19.9610
            16  C8x C    18.2157  -21.3499
            17  C8y C    19.4279  -22.0502
            18  C8y C    20.6405  -21.3505
            19  C8y C    20.6409  -19.9616
            20  C8x C    19.4286  -19.2613
            21  O2a O    19.4276  -23.4496
            22  C1a C     9.6937  -19.2747
            23  O2a O    21.8597  -22.0548
            24  C1a C    21.8597  -23.4548
            25  C1a C    18.2152  -24.1496
            26  O1a O    21.8654  -19.2551
BOND        28
            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     2   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    1  10 1
            12    7  11 2
            13    3  12 1
            14    4  13 1
            15    5  14 1
            16    8  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   15  20 1
            23   17  21 1
            24   13  22 1
            25   18  23 1
            26   23  24 1
            27   21  25 1
            28   19  26 1

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