KEGG   COMPOUND: C10054
Entry
C10054                      Compound                               
Name
Calophyllin B;
6-(3,3-Dimethylallyl)-1,5-dihydroxyxanthone
Formula
C18H16O4
Exact mass
296.1049
Mol weight
296.3172
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1306 Dibenzofurans, griseofulvins, dibenzopyrans and xanthones
    C10054  Calophyllin B
    C10054  Calophyllin B
Phytochemical compounds [BR:br08003]
 Polyketides
  Pyrones
   Xanthenes
    C10054  Calophyllin B
Other DBs
CAS: 17623-60-8
PubChem: 12240
ChEBI: 3327
KNApSAcK: C00002944
3DMET: B03497
NIKKAJI: J167.424B
LinkDB
KCF data

ATOM        22
            1   C8y C    23.6719  -16.9861
            2   C8y C    23.6893  -15.5871
            3   C8y C    22.4651  -17.6857
            4   C8x C    24.8787  -17.6973
            5   O2x O    22.4767  -14.8815
            6   C8y C    24.9077  -14.9049
            7   C8y C    21.2525  -16.9803
            8   O5x O    22.4593  -19.0908
            9   C8x C    26.0971  -17.0094
            10  C8y C    21.2583  -15.5754
            11  C8y C    26.1088  -15.6102
            12  O1a O    24.9194  -13.4999
            13  C8y C    20.0458  -17.6799
            14  C8x C    20.0458  -14.8815
            15  C1b C    27.3096  -14.9049
            16  C8x C    18.8273  -16.9803
            17  O1a O    20.0515  -19.0848
            18  C8x C    18.8273  -15.5754
            19  C2b C    28.5223  -15.5986
            20  C2c C    29.7349  -14.8991
            21  C1a C    30.9474  -15.5928
            22  C1a C    29.7291  -13.4999
BOND        24
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    6  12 1
            12    7  13 1
            13   10  14 1
            14   11  15 1
            15   13  16 2
            16   13  17 1
            17   14  18 2
            18   15  19 1
            19   19  20 2
            20   20  21 1
            21   20  22 1
            22    7  10 2
            23    9  11 1
            24   16  18 1

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