KEGG   COMPOUND: C20405
Entry
C20405                      Compound                               
Name
Pentalenate
Formula
C15H22O3
Exact mass
250.1569
Mol weight
250.3334
Structure
Reaction
Pathway
map00998  Biosynthesis of various antibiotics
map01110  Biosynthesis of secondary metabolites
Enzyme
Other DBs
PubChem: 163312142
ChEBI: 181928
LinkDB
KCF data

ATOM        18
            1   C1z C    17.9321  -16.3986
            2   C1y C    19.0559  -17.2038
            3   C1y C    18.3667  -15.0719
            4   C1x C    16.5475  -16.3870
            5   C1y C    16.8139  -17.2154
            6   C2y C    20.1798  -16.3927
            7   C1x C    18.6330  -18.5303
            8   C1y C    17.2427  -14.2551
            9   C2x C    19.7510  -15.0719
            10  C1z C    16.1131  -15.0719
            11  C1x C    17.2485  -18.5362
            12  C1a C    15.4931  -16.7924
            13  C6a C    21.5006  -16.8215
            14  C1a C    14.7694  -14.2323
            15  C1a C    14.7692  -15.4252
            16  O6a O    22.5426  -15.8824
            17  O6a O    21.7979  -18.2212
            18  O1a O    17.2439  -12.8802
BOND        20
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13   10  14 1
            14   10  15 1
            15    6   9 2
            16    7  11 1
            17    8  10 1
            18   13  16 2
            19   13  17 1
            20    8  18 1 #Down

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