KEGG   COMPOUND: C18356Help
Entry
C18356                      Compound                               

Name
(S)-Hemiketal
Formula
C16H16O6
Exact mass
304.0947
Mol weight
304.2946
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Module
M00779  Dihydrokalafungin biosynthesis, octaketide => dihydrokalafungin
Enzyme
4.2.1.-
Other DBs
PubChem: 124489030
ChEBI: 81702
KCF data Show

ATOM        22
            1   C8x C    17.8500  -14.9100
            2   C8x C    17.8500  -16.3100
            3   C8x C    19.0624  -17.0100
            4   C8y C    20.2749  -16.3100
            5   C8y C    20.2749  -14.9100
            6   C8y C    19.0624  -14.2100
            7   C1x C    21.4873  -17.0100
            8   C2y C    22.6997  -16.3100
            9   C2y C    22.6997  -14.9100
            10  C5x C    21.4873  -14.2100
            11  C1x C    23.9122  -17.0100
            12  C1y C    25.1246  -16.3100
            13  O2x O    25.1246  -14.9100
            14  C1z C    23.9122  -14.2100
            15  O1a O    19.0624  -12.8102
            16  O5x O    21.4873  -12.8100
            17  C1a C    23.9122  -12.8103
            18  C1b C    26.3424  -17.0100
            19  C6a C    27.5549  -16.3100
            20  O6a O    28.7673  -17.0100
            21  O6a O    27.5549  -14.9102
            22  O1a O    25.1453  -13.4978
BOND        24
            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 #Down
            21   18  19 1
            22   19  20 1
            23   19  21 2
            24   14  22 1

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