KEGG   COMPOUND: C09688Help
Entry
C09688                      Compound                               

Name
Illudin S
Formula
C15H20O4
Exact mass
264.1362
Mol weight
264.3169
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0103 C15 isoprenoids (sesquiterpenes)
    PR010359 Illudane and protoilludane sesquiterpenoids
     C09688  Illudin S
Natural toxins [BR:br08009]
 Fungal toxins
  Mushroom toxins
   Terpenoids
    C09688  Illudin S
BRITE hierarchy
Other DBs
CAS: 1149-99-1
PubChem: 11878
ChEBI: 5867
ChEMBL: CHEMBL509170
KNApSAcK: C00003151
3DMET: B03196
NIKKAJI: J17.223E
KCF data Show

ATOM        19
            1   C1z C    23.6671  -21.2979
            2   C2y C    24.8738  -21.9891
            3   C1z C    23.6671  -19.9036
            4   C1x C    22.3194  -21.6616
            5   C1x C    23.3105  -22.6397
            6   C1a C    24.8738  -23.3835
            7   C5x C    24.8738  -19.2181
            8   C1a C    22.2563  -19.4981
            9   O1a O    23.6614  -18.5209
            10  O5x O    24.8738  -17.8295
            11  C2y C    26.0687  -19.9036
            12  C2y C    26.0716  -21.3004
            13  C1y C    27.4031  -21.7304
            14  C1z C    28.2250  -20.5977
            15  C2x C    27.3985  -19.4680
            16  O1a O    27.8509  -23.0978
            17  C1b C    29.2387  -21.6058
            18  C1a C    29.2387  -19.5708
            19  O1a O    30.6268  -21.2345
BOND        21
            1     3   9 1 #Up
            2     7  10 2
            3     4   5 1
            4     7  11 1
            5     1   2 1
            6     1   3 1
            7     1   4 1
            8     1   5 1
            9    11  12 1
            10   12  13 1
            11   13  14 1
            12   14  15 1
            13   15  11 2
            14    2  12 2
            15   13  16 1 #Down
            16    2   6 1
            17   14  17 1 #Up
            18    3   7 1
            19   14  18 1 #Down
            20    3   8 1 #Down
            21   17  19 1

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