KEGG   COMPOUND: C20853
Entry
C20853                      Compound                               

Name
Monacolin L acid;
(3R,5R)-7-[(1S,2S,6R,8aR)-2,6-Dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
Formula
C19H30O4
Exact mass
322.2144
Mol weight
322.4391
Structure
Reaction
Pathway
map00999  Biosynthesis of various secondary metabolites - part 1
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00893  Lovastatin biosynthesis, malonyl-CoA => lovastatin acid
Enzyme
Other DBs
PubChem: 254741319
KCF data

ATOM        23
            1   C1y C    20.3700  -18.8300
            2   C2x C    20.3700  -20.1600
            3   C2x C    19.2500  -20.8600
            4   C2y C    17.9900  -20.1600
            5   C1y C    17.9900  -18.8300
            6   C1y C    19.2500  -18.1300
            7   C2x C    16.8000  -20.8600
            8   C1y C    15.6800  -20.1600
            9   C1x C    15.6800  -18.8300
            10  C1x C    16.8000  -18.1300
            11  C1a C    14.4900  -20.8600
            12  C1a C    21.5600  -18.1300
            13  C1b C    19.2500  -16.8000
            14  C1b C    20.3700  -16.1000
            15  C1c C    20.3700  -14.7000
            16  C1b C    19.1800  -14.0000
            17  C1c C    19.1800  -12.1800
            18  O1a O    22.2600  -14.2100
            19  O1a O    17.9900  -11.4800
            20  C1b C    20.3700  -11.4800
            21  C6a C    21.5600  -12.1800
            22  O6a O    22.7500  -11.4800
            23  O6a O    21.5600  -13.3700
BOND        24
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 2
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 1 #Down
            13    1  12 1 #Up
            14    6  13 1 #Up
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   15  18 1 #Down
            20   17  19 1 #Up
            21   17  20 1
            22   20  21 1
            23   21  22 2
            24   21  23 1

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