KEGG   COMPOUND: C00961Help
Entry
C00961                      Compound                               

Name
Sterigmatocystin
Formula
C18H12O6
Exact mass
324.0634
Mol weight
324.2843
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00254  Aflatoxin biosynthesis
map01130  Biosynthesis of antibiotics
Enzyme
2.1.1.109       2.1.1.110
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK10 Aflatoxins and related substances
   C00961  Sterigmatocystin
Carcinogens [BR:br08008]
 Group 2B: Possibly carcinogenic to humans
  Compounds
   C00961  Sterigmatocystin
Natural toxins [BR:br08009]
 Fungal toxins
  Mycotoxins
   Others
    C00961  Sterigmatocystin
BRITE hierarchy
Other DBs
CAS: 10048-13-2
PubChem: 4212
ChEBI: 18227
ChEMBL: CHEMBL524291
LIPIDMAPS: LMPK10000001
KNApSAcK: C00000563
3DMET: B01360
NIKKAJI: J9.276B
LinkDB All DBs
KCF data Show

ATOM        24
            1   C8y C    16.3100  -15.7500
            2   C8x C    16.3100  -17.1500
            3   C8y C    17.5224  -17.8500
            4   C8y C    18.7349  -17.1500
            5   C8y C    18.7349  -15.7500
            6   C8y C    17.5224  -15.0500
            7   C8y C    19.9473  -17.8500
            8   C8y C    21.1597  -17.1500
            9   C8y C    21.1597  -15.7500
            10  O2x O    19.9473  -15.0500
            11  C8y C    22.3722  -17.8500
            12  C8x C    23.5846  -17.1500
            13  C8x C    23.5846  -15.7500
            14  C8x C    22.3722  -15.0500
            15  O5x O    19.9473  -19.2500
            16  O1a O    22.3722  -19.2497
            17  O2a O    17.5224  -19.2498
            18  C1a C    16.2932  -19.9597
            19  C1y C    17.2313  -13.6806
            20  C1y C    15.7690  -13.6743
            21  O2x O    15.2696  -14.8832
            22  C2x C    17.7307  -12.4017
            23  C2x C    16.6203  -11.4649
            24  O2x O    15.3379  -12.3049
BOND        28
            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   17  18 1
            21    6  19 1
            22   19  20 1
            23   20  21 1
            24    1  21 1
            25   19  22 1
            26   22  23 2
            27   23  24 1
            28   20  24 1

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