KEGG   COMPOUND: C09267
Entry
C09267                      Compound                               
Name
Heliettin
Formula
C19H22O4
Exact mass
314.1518
Mol weight
314.3756
Structure
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Coumarins
   Furanocoumarins
    C09267  Heliettin
Other DBs
CAS: 33054-89-6
PubChem: 11458
ChEBI: 5640
KNApSAcK: C00002475 C00035561
3DMET: B05346
NIKKAJI: J2.769.131E
LinkDB
KCF data

ATOM        23
            1   C8y C    28.9386  -16.5379
            2   C8y C    28.9444  -17.9307
            3   C8x C    27.7206  -15.8444
            4   C8x C    30.1450  -15.8270
            5   C8x C    27.7497  -18.6417
            6   O7x O    30.1566  -18.6184
            7   C8y C    26.5143  -16.5670
            8   C8y C    31.3570  -16.5204
            9   C8y C    26.5317  -17.9657
            10  C8y C    31.3630  -17.9190
            11  C1x C    25.1740  -16.1474
            12  C1d C    32.5693  -15.8094
            13  O2x O    25.2030  -18.4144
            14  O6a O    32.5867  -18.6067
            15  C1y C    24.3639  -17.2897
            16  C2b C    33.7871  -16.5030
            17  C1a C    31.6193  -14.7022
            18  C1a C    33.3327  -14.7022
            19  C1d C    22.9594  -17.3071
            20  C2a C    34.9935  -15.7920
            21  C1a C    22.2776  -18.5310
            22  C1a C    22.2019  -16.1241
            23  O1a O    21.5609  -17.3246
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 2
            7     4   8 2
            8     5   9 2
            9     6  10 1
            10    7  11 1
            11    8  12 1
            12    9  13 1
            13   10  14 2
            14   11  15 1
            15   12  16 1
            16   12  17 1
            17   12  18 1
            18   15  19 1
            19   16  20 2
            20   19  21 1
            21   19  22 1
            22   19  23 1
            23    7   9 1
            24    8  10 1
            25   13  15 1

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