KEGG   COMPOUND: C09513Help
Entry
C09513                      Compound                               

Name
Molephantinin
Formula
C20H24O6
Exact mass
360.1573
Mol weight
360.401
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Germacrenes
    C09513  Molephantinin
BRITE hierarchy
Other DBs
CAS: 56221-98-8
PubChem: 11704
ChEBI: 6963
ChEMBL: CHEMBL189129
KNApSAcK: C00003334
3DMET: B03036
NIKKAJI: J55.546K
KCF data Show

ATOM        26
            1   C1y C    25.2590  -16.1860
            2   C1y C    23.9303  -16.5399
            3   C1y C    25.9785  -15.0023
            4   C2y C    26.0132  -17.3407
            5   C1y C    22.1722  -15.9654
            6   O7x O    23.9306  -17.9151
            7   C1x C    25.9843  -13.6213
            8   C7x C    25.1487  -18.4083
            9   C2a C    27.3942  -17.3403
            10  C2y C    21.1975  -14.9907
            11  C2y C    24.7832  -12.9193
            12  O6a O    25.5084  -19.7428
            13  C2x C    21.1975  -13.6097
            14  C1a C    19.9208  -15.5130
            15  C2x C    23.5880  -13.6097
            16  C1a C    24.7891  -11.5384
            17  C5x C    22.3985  -12.9134
            18  O7a O    27.2091  -15.4591
            19  C7a C    28.4966  -14.6774
            20  C2c C    29.6861  -15.3620
            21  O6a O    28.4909  -13.2907
            22  C1a C    30.8874  -14.6664
            23  C2b C    29.6880  -16.7502
            24  C1a C    30.8911  -17.4428
            25  O5x O    22.4014  -11.5252
            26  O1a O    21.4460  -17.1485
BOND        27
            1     5  10 1
            2     7  11 1
            3     8  12 2
            4    10  13 2
            5    10  14 1
            6    11  15 2
            7    11  16 1
            8    13  17 1
            9     6   8 1
            10   15  17 1
            11    3  18 1 #Down
            12    1   2 1
            13    1   3 1
            14    1   4 1
            15   18  19 1
            16   19  20 1
            17   19  21 2
            18    2   5 1
            19   20  22 1
            20    2   6 1
            21   20  23 2
            22    3   7 1
            23   23  24 1
            24    4   8 1
            25   17  25 2
            26    4   9 2
            27    5  26 1 #Up

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