KEGG   COMPOUND: C09259
Entry
C09259                      Compound                               
Name
Decursinol
Formula
C14H14O4
Exact mass
246.0892
Mol weight
246.2586
Structure
Other DBs
CAS: 23458-02-8
PubChem: 11450
ChEBI: 4354
KNApSAcK: C00002466
3DMET: B02807
NIKKAJI: J16.556E
KCF data

ATOM        18
            1   C1z C    24.7474  -16.9175
            2   C1y C    24.7474  -15.5272
            3   O2x O    25.9566  -17.6068
            4   C1a C    23.5382  -17.6068
            5   C1a C    24.7591  -18.5531
            6   C1x C    25.9566  -14.8262
            7   O1a O    23.5382  -14.8262
            8   C8y C    27.1367  -16.9117
            9   C8y C    27.1484  -15.5214
            10  C8x C    28.3283  -17.6185
            11  C8x C    28.3633  -14.8379
            12  C8y C    29.5375  -16.9351
            13  C8y C    29.5551  -15.5506
            14  O7x O    30.7233  -17.6419
            15  C8x C    30.7643  -14.8730
            16  C8y C    32.0025  -16.9759
            17  C8x C    31.9559  -15.5916
            18  O6a O    33.1300  -17.6827
BOND        20
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     6   9 1
            9     8  10 2
            10    9  11 2
            11   10  12 1
            12   11  13 1
            13   12  14 1
            14   13  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18    8   9 1
            19   12  13 2
            20   16  17 1

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