KEGG   COMPOUND: C18357Help
Entry
C18357                      Compound                               

Name
(R)-Hemiketal
Formula
C16H15O5SR
Structure
Mol fileKCF fileDB search
Comment
Generic compound in reaction hierarchy
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01110  Biosynthesis of secondary metabolites
map01130  Biosynthesis of antibiotics
Other DBs
PubChem: 124489031
ChEBI: 81703
LinkDB All DBs
KCF data Show

ATOM        23
            1   C8x C    22.5252  -16.2276
            2   C8x C    22.5252  -17.6264
            3   C8x C    23.7366  -18.3259
            4   C8y C    24.9481  -17.6264
            5   C8y C    24.9481  -16.2276
            6   C8y C    23.7366  -15.5282
            7   C1x C    26.1594  -18.3259
            8   C2y C    27.3708  -17.6264
            9   C2y C    27.3708  -16.2276
            10  C5x C    26.1594  -15.5282
            11  C1x C    28.5823  -18.3259
            12  C1y C    29.7937  -17.6264
            13  O2x O    29.7937  -16.2276
            14  C1z C    28.5823  -15.5282
            15  O1a O    23.7366  -14.1296
            16  O5x O    26.1594  -14.1294
            17  C1a C    28.5823  -14.1297
            18  C1b C    31.0105  -18.3259
            19  C5a C    32.2220  -17.6264
            20  S2a S    33.4334  -18.3259
            21  O5a O    32.2220  -16.2278
            22  O1a O    29.8144  -14.8166
            23  R   R    34.8334  -18.3259
BOND        25
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 1
            12    8  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16    9  14 1
            17    6  15 1
            18   10  16 2
            19   14  17 1
            20   12  18 1 #Up
            21   18  19 1
            22   19  20 1
            23   19  21 2
            24   14  22 1
            25   20  23 1

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