KEGG   COMPOUND: C21093
Entry
C21093                      Compound                               
Name
Terpentecin
Formula
C20H28O6
Exact mass
364.1886
Mol weight
364.4327
Structure
Reaction
Pathway
map00998  Biosynthesis of various antibiotics
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00788  Terpentecin biosynthesis, GGAP => terpentecin
Other DBs
CAS: 100440-25-3
PubChem: 310920474
KCF data

ATOM        26
            1   C1x C     9.7300  -16.7300
            2   C2x C     9.7300  -18.1300
            3   C2y C    10.9200  -18.8300
            4   C1z C    12.1800  -18.1300
            5   C1y C    12.1800  -16.7300
            6   C1x C    10.9200  -16.0300
            7   C5x C    13.3700  -18.8300
            8   C1y C    14.5600  -18.1300
            9   C1y C    14.5600  -16.7300
            10  C1z C    13.3700  -16.0300
            11  C1a C    10.9200  -20.2300
            12  C1a C    12.1800  -19.8100
            13  O5x O    13.3700  -20.2300
            14  O1a O    15.7500  -18.8300
            15  C1a C    15.8900  -16.2400
            16  C1b C    13.3700  -14.6300
            17  C1c C    14.5600  -13.9300
            18  O1a O    15.9600  -14.4900
            19  C1z C    14.5600  -12.5300
            20  C1x C    15.7500  -11.8300
            21  C5a C    13.3700  -11.8300
            22  O2x O    15.7500  -13.2300
            23  O5a O    12.1800  -12.5300
            24  C4a C    13.3700  -10.4300
            25  O4a O    12.1800   -9.7300
            26  C1a C    14.7000  -15.7500
BOND        28
            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 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    3  11 1
            13    4  12 1 #Up
            14    7  13 2
            15    8  14 1 #Up
            16    9  15 1 #Down
            17   10  16 1
            18   17  16 1 #Down
            19   17  18 1
            20   17  19 1
            21   19  20 1
            22   19  21 1 #Up
            23   19  22 1
            24   20  22 1
            25   21  23 2
            26   21  24 1
            27   24  25 2
            28   10  26 1 #Up

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