KEGG   COMPOUND: C21191Help
Entry
C21191                      Compound                               

Name
Pluviatolide;
(-)-Pluviatolide;
(3R,4R)-4-(2H-1,3-Benzodioxol-5-ylmethyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
Formula
C20H20O6
Exact mass
356.126
Mol weight
356.3692
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00998  Biosynthesis of various secondary metabolites - part 2
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.19.72      2.1.1.323
Other DBs
CAS: 28115-68-6
PubChem: 315431314
ChEMBL: CHEMBL63962
KCF data Show

ATOM        26
            1   C1y C    19.3283  -17.8997
            2   C1y C    17.9218  -17.8997
            3   C1b C    20.5422  -18.6065
            4   C7x C    19.7598  -16.5761
            5   C1b C    16.7077  -18.6065
            6   C1x C    17.4833  -16.5761
            7   C8y C    21.7492  -17.8997
            8   O7x O    18.6215  -15.7469
            9   O6a O    20.9446  -15.8695
            10  C8y C    15.4940  -17.8997
            11  C8x C    22.9575  -18.6065
            12  C8x C    21.7434  -16.4991
            13  C8x C    14.2799  -18.6065
            14  C8x C    15.4940  -16.4991
            15  C8x C    24.1716  -17.8997
            16  C8y C    22.9575  -15.7994
            17  C8x C    13.0658  -17.8997
            18  C8y C    14.2799  -15.8052
            19  C8y C    24.1716  -16.4991
            20  C8y C    13.0658  -16.4991
            21  O1a O    25.3853  -15.7994
            22  O2a O    22.9575  -14.4044
            23  C1a C    24.1657  -13.7069
            24  O2x O    13.9951  -14.4361
            25  C1x C    12.6050  -14.2838
            26  O2x O    12.0307  -15.5588
BOND        29
            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

» Japanese version

DBGET integrated database retrieval system