KEGG   COMPOUND: C09307
Entry
C09307                      Compound                               
Name
Pteryxin
Formula
C21H22O7
Exact mass
386.1366
Mol weight
386.3952
Structure
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Coumarins
   Coumarins
    C09307  Pteryxin
Other DBs
CAS: 13161-75-6
PubChem: 11498
ChEBI: 8632
KNApSAcK: C00002494
3DMET: B02847
NIKKAJI: J13.914I
LinkDB
KCF data

ATOM        28
            1   O6a O    27.7200  -14.2800
            2   C7a C    28.9800  -14.9800
            3   C2c C    30.1700  -14.2800
            4   C1a C    31.3600  -14.9800
            5   C2b C    30.1700  -12.8800
            6   C1a C    28.9800  -12.1800
            7   C8y C    27.7200  -18.4100
            8   C1y C    27.7200  -17.0100
            9   C8y C    28.9800  -19.1100
            10  C8y C    26.5300  -19.1100
            11  C1y C    26.5300  -16.3100
            12  O7a O    28.9800  -16.1700
            13  C8y C    28.9800  -20.5100
            14  O7x O    30.1700  -18.4100
            15  O2x O    25.2700  -18.4100
            16  C8x C    26.5300  -20.5100
            17  C1z C    25.2700  -17.0100
            18  O7a O    26.4600  -14.9100
            19  C8x C    27.7200  -21.2100
            20  C8x C    30.1700  -21.2100
            21  C8y C    31.3600  -19.1100
            22  C7a C    25.2700  -14.2100
            23  C8x C    31.3600  -20.5100
            24  O6a O    32.6200  -18.3400
            25  C1a C    24.0800  -14.9100
            26  O6a O    25.2700  -12.7400
            27  C1a C    24.0100  -17.6400
            28  C1a C    24.2200  -16.1700
BOND        30
            1     2   3 1
            2     5   6 1
            3     1   2 2
            4     3   4 1
            5    10  15 1
            6    10  16 1
            7    11  17 1
            8    11  18 1 #Down
            9    13  19 1
            10   13  20 1
            11   14  21 1
            12   18  22 1
            13   20  23 2
            14   21  24 2
            15   22  25 1
            16   22  26 2
            17   15  17 1
            18   16  19 2
            19   21  23 1
            20    7   8 1
            21    7   9 1
            22    7  10 2
            23    8  11 1
            24    8  12 1 #Down
            25    9  13 2
            26    9  14 1
            27   12   2 1
            28   17  27 1
            29    3   5 2
            30   17  28 1

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