KEGG   COMPOUND: C03686Help
Entry
C03686                      Compound                               

Name
O-Methylsterigmatocystin;
8-O-Methylsterigmatocystin
Formula
C19H14O6
Exact mass
338.079
Mol weight
338.3109
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00254  Aflatoxin biosynthesis
map01130  Biosynthesis of antibiotics
Enzyme
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK10 Aflatoxins and related substances
   C03686  7-O-Methylsterigmatocystin
BRITE hierarchy
Other DBs
CAS: 17878-69-2
PubChem: 6461
ChEBI: 18171
LIPIDMAPS: LMPK10000003
KNApSAcK: C00023634
3DMET: B00623
NIKKAJI: J86.123E
KCF data Show

ATOM        25
            1   C8y C    23.8000  -16.4500
            2   C8x C    23.8000  -17.8500
            3   C8y C    24.9900  -18.5500
            4   C8y C    26.1800  -17.8500
            5   C8y C    26.1800  -16.4500
            6   C8y C    24.9900  -15.7500
            7   C8y C    27.3700  -18.5500
            8   C8y C    28.6300  -17.8500
            9   C8y C    28.6300  -16.4500
            10  O2x O    27.3700  -15.7500
            11  C8y C    29.8200  -18.5500
            12  C8x C    31.0100  -17.8500
            13  C8x C    31.0100  -16.4500
            14  C8x C    29.8200  -15.7500
            15  O5x O    27.3700  -19.9500
            16  O2a O    29.8200  -19.9500
            17  O2a O    24.9900  -19.9500
            18  C1y C    24.7100  -14.3500
            19  C1y C    23.2400  -14.3500
            20  O2x O    22.7500  -15.5400
            21  C2x C    25.2000  -13.0900
            22  C2x C    24.0800  -12.1100
            23  O2x O    22.8200  -12.9500
            24  C1a C    23.7776  -20.6500
            25  C1a C    31.0324  -20.6500
BOND        29
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            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    8  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16    9  14 2
            17    7  15 2
            18   11  16 1
            19    3  17 1
            20    6  18 1
            21   18  19 1
            22   19  20 1
            23    1  20 1
            24   18  21 1
            25   21  22 2
            26   22  23 1
            27   19  23 1
            28   17  24 1
            29   16  25 1

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