KEGG   COMPOUND: C09145Help
Entry
C09145                      Compound                               

Name
Ophiobolin A
Formula
C25H36O4
Exact mass
400.2614
Mol weight
400.5509
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0105 C25 isoprenoids (sesterterpenes)
    PR010505 Cheilanthane and ophiobolane sesterterpenoids
     C09145  Ophiobolin A
BRITE hierarchy
Other DBs
CAS: 4611-05-6
PubChem: 11337
ChEBI: 7777
ChEMBL: CHEMBL522808
LIPIDMAPS: LMPR0105050001
KNApSAcK: C00003460
3DMET: B02716
NIKKAJI: J14.566A
KCF data Show

ATOM        29
            1   C1z C    27.6501  -33.2892
            2   C1y C    26.2564  -33.1827
            3   O2x O    29.0335  -33.4933
            4   C1y C    27.4171  -31.9143
            5   C1x C    27.9767  -34.6541
            6   C1z C    25.7224  -34.4742
            7   C1x C    25.7185  -31.8794
            8   C1y C    29.6585  -32.2414
            9   C1x C    28.6566  -31.2595
            10  C1a C    27.2430  -30.5072
            11  C1x C    26.7884  -35.3818
            12  C1x C    24.4275  -35.0220
            13  C1a C    25.1563  -35.7520
            14  C2x C    24.4169  -31.3539
            15  C2b C    31.0405  -31.9924
            16  C1y C    23.1252  -34.4835
            17  C2y C    23.1183  -31.8810
            18  C2c C    31.9408  -33.0767
            19  C1y C    22.5874  -33.1802
            20  C1z C    22.0545  -35.3962
            21  C4a C    22.1208  -30.8885
            22  C1a C    33.3259  -32.8356
            23  C1a C    31.4530  -34.3947
            24  C5x C    21.1797  -33.2970
            25  C1x C    20.8544  -34.6661
            26  C1a C    22.1660  -36.8015
            27  O1a O    20.7367  -35.9086
            28  O4a O    22.4862  -29.5302
            29  O5x O    20.2672  -32.2264
BOND        32
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     4   9 1
            9     4  10 1 #Up
            10    5  11 1
            11    6  12 1
            12    6  13 1 #Up
            13    7  14 1
            14    8  15 1 #Down
            15   12  16 1
            16   14  17 2
            17   15  18 2
            18   16  19 1
            19   16  20 1
            20   17  21 1
            21   18  22 1
            22   18  23 1
            23   19  24 1
            24   20  25 1
            25   20  26 1 #Up
            26   20  27 1 #Down
            27   21  28 2
            28   24  29 2
            29    6  11 1
            30    8   9 1
            31   17  19 1
            32   24  25 1

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