KEGG   COMPOUND: C01821Help
Entry
C01821                      Compound                               

Name
Isoorientin;
Homoorientin
Formula
C21H20O11
Exact mass
448.1006
Mol weight
448.3769
Structure
Mol fileKCF fileDB search
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C01821  Isoorientin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavones
    C01821  Isoorientin
BRITE hierarchy
Other DBs
CAS: 4261-42-1
PubChem: 4945
ChEBI: 17965
ChEMBL: CHEMBL239559
KNApSAcK: C00001055
3DMET: B01503
NIKKAJI: J14.555F
LinkDB All DBs
KCF data Show

ATOM        32
            1   C8y C    22.6968  -14.7422
            2   C8y C    22.6968  -16.1415
            3   O2x O    23.9563  -13.9958
            4   C8x C    21.4841  -13.9958
            5   C8y C    23.9563  -16.8412
            6   C8y C    21.4841  -16.8412
            7   C8y C    25.1691  -14.6955
            8   C8y C    20.2713  -14.7422
            9   C8x C    25.1691  -16.1415
            10  O5x O    23.9563  -18.1706
            11  C8y C    20.2713  -16.1415
            12  O1a O    21.4841  -18.1939
            13  C8y C    26.3819  -13.9958
            14  O1a O    19.1051  -14.0425
            15  C8x C    26.3819  -12.6431
            16  C8x C    27.5946  -14.6955
            17  C8x C    27.5946  -11.9434
            18  C8y C    28.8075  -14.0425
            19  C8y C    28.8075  -12.6431
            20  O1a O    30.0202  -11.9434
            21  O1a O    29.9736  -14.7422
            22  C1y C    16.6329  -16.8412
            23  C1y C    16.6329  -18.2406
            24  C1y C    17.8457  -18.9403
            25  C1y C    19.0584  -18.2406
            26  C1y C    19.0584  -16.8412
            27  O2x O    17.8457  -16.1415
            28  O1a O    17.8457  -20.3397
            29  C1b C    15.4201  -16.1415
            30  O1a O    20.1313  -18.9403
            31  O1a O    15.4901  -18.9403
            32  O1a O    14.2073  -16.8412
BOND        35
            1     1   3 1
            2     1   4 1
            3     2   5 1
            4     2   6 1
            5     3   7 1
            6     4   8 2
            7     5   9 1
            8     5  10 2
            9     6  11 2
            10    6  12 1
            11    7  13 1
            12    8  14 1
            13   13  15 1
            14   13  16 2
            15   15  17 2
            16   16  18 1
            17   17  19 1
            18   19  20 1
            19    7   9 2
            20    8  11 1
            21   18  19 2
            22   18  21 1
            23    1   2 2
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   22  27 1
            30   26  11 1 #Up
            31   24  28 1 #Up
            32   22  29 1 #Up
            33   25  30 1 #Down
            34   23  31 1 #Down
            35   29  32 1

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