KEGG   COMPOUND: C09067
Entry
C09067                      Compound                               
Name
Callicarpone
Formula
C20H28O4
Exact mass
332.1988
Mol weight
332.4339
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Clerodanes
    C09067  Callicarpone
Other DBs
CAS: 5938-11-4
PubChem: 11259
ChEBI: 3321
KNApSAcK: C00003408
3DMET: B02656
NIKKAJI: J16.100D
LinkDB
KCF data

ATOM        24
            1   C1z C    27.2579  -14.0243
            2   C1y C    26.0570  -13.3130
            3   O2x O    27.2639  -12.6193
            4   C1x C    27.2522  -15.4235
            5   C1d C    28.4707  -13.3072
            6   C5x C    24.8385  -14.0009
            7   C2y C    26.0337  -16.1056
            8   C1a C    28.4648  -11.9021
            9   C1a C    28.4648  -14.7063
            10  O1a O    29.6833  -14.0067
            11  C2y C    24.8269  -15.4002
            12  O5x O    23.6374  -13.2897
            13  C5x C    26.0337  -17.5048
            14  C1z C    23.6141  -16.0939
            15  C1x C    24.8152  -18.2044
            16  O5x O    27.2463  -18.2161
            17  C1y C    23.6083  -17.4931
            18  C1x C    22.4074  -15.3943
            19  C1a C    23.6026  -14.6946
            20  C1z C    22.4074  -18.1987
            21  C1x C    21.1889  -16.0939
            22  C1x C    21.1889  -17.4931
            23  C1a C    23.2295  -19.6213
            24  C1a C    21.6845  -19.6213
BOND        27
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     4   7 1
            7     5   8 1
            8     5   9 1
            9     5  10 1
            10    6  11 1
            11    6  12 2
            12    7  13 1
            13   11  14 1
            14   13  15 1
            15   13  16 2
            16   14  17 1
            17   14  18 1
            18   14  19 1 #Up
            19   17  20 1
            20   18  21 1
            21   20  22 1
            22   20  23 1
            23   20  24 1
            24    2   3 1
            25    7  11 2
            26   15  17 1
            27   21  22 1

» Japanese version

DBGET integrated database retrieval system