KEGG   COMPOUND: C09141
Entry
C09141                      Compound                               

Name
Byakangelicin
Formula
C17H18O7
Exact mass
334.1053
Mol weight
334.3206
Structure
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Coumarins
   Furanocoumarins
    C09141  Byakangelicin
Other DBs
CAS: 482-25-7
PubChem: 11333
ChEBI: 3250
ChEMBL: CHEMBL508648
KNApSAcK: C00002453
3DMET: B02713
NIKKAJI: J14.808C
KCF data

ATOM        24
            1   C8y C    28.8701  -15.6601
            2   C8y C    27.5955  -16.3501
            3   C8y C    28.8118  -14.2742
            4   O7x O    29.9988  -16.3618
            5   C8y C    26.3910  -15.6542
            6   O2a O    27.5897  -17.7418
            7   C8y C    27.6072  -13.5668
            8   C8x C    30.0162  -13.5843
            9   C8y C    31.2032  -15.6776
            10  C8y C    26.3968  -14.2625
            11  O2x O    25.0636  -16.0695
            12  C1b C    28.7884  -18.4434
            13  O2a O    27.5489  -12.1751
            14  C8x C    31.2149  -14.2919
            15  O6a O    32.4019  -16.3793
            16  C8x C    25.0753  -13.8183
            17  C8x C    24.2509  -14.9408
            18  C1c C    28.7824  -19.8351
            19  C1a C    28.8235  -11.4852
            20  C1d C    29.9871  -20.5366
            21  O1a O    27.5780  -20.5251
            22  C1a C    29.9811  -21.9282
            23  C1a C    31.1915  -19.8468
            24  O1a O    31.3962  -21.3729
BOND        26
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    8  14 2
            14    9  15 2
            15   10  16 1
            16   11  17 1
            17   12  18 1
            18   13  19 1
            19   18  20 1
            20   18  21 1 #Down
            21   20  22 1
            22   20  23 1
            23   20  24 1
            24    7  10 2
            25    9  14 1
            26   16  17 2

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