KEGG   COMPOUND: C21184Help
Entry
C21184                      Compound                               

Name
(-)-5'-Demethylyatein;
(3R,4R)-4-(2H-1,3-Benzodioxol-5-ylmethyl)-3-[(3-hydroxy-4,5-dimethoxyphenyl)methyl]oxolan-2-one
Formula
C21H22O7
Exact mass
386.1366
Mol weight
386.3952
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00998  Biosynthesis of various secondary metabolites - part 2
map01110  Biosynthesis of secondary metabolites
Enzyme
Other DBs
PubChem: 315431307
KCF data Show

ATOM        28
            1   C1y C    18.6160  -17.9161
            2   C1y C    17.2163  -17.9161
            3   C1b C    19.8057  -18.6160
            4   C7x C    19.0359  -16.5864
            5   C1b C    16.0266  -18.6160
            6   C1x C    16.7964  -16.5864
            7   C8y C    21.0655  -17.9161
            8   O7x O    17.9161  -15.7466
            9   O6a O    20.2956  -15.8866
            10  C8y C    14.7668  -17.9161
            11  C8x C    22.2552  -18.6160
            12  C8x C    21.0655  -16.5165
            13  C8x C    13.5771  -18.6160
            14  C8x C    14.7668  -16.5165
            15  C8y C    23.4450  -17.9161
            16  C8y C    22.2552  -15.8166
            17  C8x C    12.3873  -17.9161
            18  C8y C    13.5771  -15.8166
            19  C8y C    23.4450  -16.5165
            20  C8y C    12.3873  -16.5165
            21  O2a O    24.7047  -15.8166
            22  O2a O    22.2552  -14.4169
            23  C1a C    23.4450  -13.7171
            24  O2x O    13.2971  -14.4169
            25  C1x C    11.8974  -14.2769
            26  O2x O    11.3376  -15.5367
            27  C1a C    25.8944  -16.5864
            28  O1a O    24.6657  -18.6143
BOND        31
            1     2   5 1 #Up
            2     2   6 1
            3     3   7 1
            4     4   8 1
            5     4   9 2
            6     5  10 1
            7     7  11 2
            8     7  12 1
            9    10  13 1
            10   10  14 2
            11   11  15 1
            12   12  16 2
            13   13  17 2
            14   14  18 1
            15   15  19 2
            16   17  20 1
            17   19  21 1
            18    6   8 1
            19   16  19 1
            20   18  20 2
            21    1   2 1
            22    1   3 1 #Down
            23   16  22 1
            24    1   4 1
            25   22  23 1
            26   18  24 1
            27   24  25 1
            28   25  26 1
            29   20  26 1
            30   21  27 1
            31   15  28 1

» Japanese version

DBGET integrated database retrieval system