KEGG   COMPOUND: C10080
Entry
C10080                      Compound                               
Name
Mangostin
Formula
C24H26O6
Exact mass
410.1729
Mol weight
410.4596
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1306 Dibenzofurans, griseofulvins, dibenzopyrans and xanthones
    C10080  Mangostin
Phytochemical compounds [BR:br08003]
 Polyketides
  Pyrones
   Xanthenes
    C10080  Mangostin
Other DBs
CAS: 6147-11-1
PubChem: 12266
ChEBI: 67547
KNApSAcK: C00002963
PDB-CCD: MKS[PDBj]
3DMET: B03522
NIKKAJI: J8.348H
LinkDB
KCF data

ATOM        30
            1   C8y C    27.3281  -14.9512
            2   C8y C    27.2697  -13.5522
            3   C8y C    28.4647  -15.6564
            4   C8y C    26.0457  -15.6448
            5   O2x O    26.0574  -12.8410
            6   C8x C    28.4881  -12.8584
            7   C8y C    29.6714  -14.9745
            8   C1b C    28.5231  -17.0614
            9   C8y C    24.8331  -14.9453
            10  O5x O    26.0457  -17.0497
            11  C8y C    24.8390  -13.5405
            12  C8y C    29.6888  -13.5755
            13  O2a O    30.8838  -15.6798
            14  C2b C    29.6538  -17.7724
            15  C8y C    23.6324  -15.6390
            16  C8x C    23.6324  -12.8410
            17  O1a O    30.9071  -12.8817
            18  C1a C    32.1021  -14.9919
            19  C2c C    29.7064  -19.1773
            20  C8y C    22.4141  -14.9453
            21  O1a O    23.6324  -17.0438
            22  C8y C    22.4141  -13.5405
            23  C1a C    30.8488  -19.8826
            24  C1a C    28.4240  -19.8593
            25  C1b C    21.1958  -15.6448
            26  O1a O    21.1958  -12.8352
            27  C2b C    19.9891  -14.9512
            28  C2c C    18.7767  -15.6507
            29  C1a C    17.5642  -14.9569
            30  C1a C    18.7825  -17.0497
BOND        32
            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     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15   11  16 1
            16   12  17 1
            17   13  18 1
            18   14  19 2
            19   15  20 2
            20   15  21 1
            21   16  22 2
            22   19  23 1
            23   19  24 1
            24   20  25 1
            25   22  26 1
            26   25  27 1
            27   27  28 2
            28   28  29 1
            29   28  30 1
            30    7  12 1
            31    9  11 2
            32   20  22 1

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