NP-MRD: Showing NP-Card for Striatoid F (NP0013873)

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Record Information

Version

2.0

Created at

2021-01-05 23:10:01 UTC

Updated at

2021-07-15 17:15:42 UTC

NP-MRD ID

NP0013873

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Striatoid F

Provided By

NPAtlas

Description

Striatoid F is found in Cyathus striatus.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306242119503D          

 75 80  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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 31 33  1  0
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 29  5  1  0
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 18 10  1  0
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 28 69  1  0
 28 70  1  0
 30 71  1  0
 31 72  1  6
 32 73  1  0
 34 74  1  0
 35 75  1  6
M  END


  Mrv1652306242119503D          

 75 80  0  0  0  0            999 V2000
    4.9862    4.0045    0.5903 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4066    2.8634   -0.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3018    2.8402   -1.3939 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9581    1.7713    0.5201 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3904    0.6194   -0.0077 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0280    0.2747    0.4269 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9707    1.3224    0.3228 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1642    1.0455   -0.5818 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0473   -0.0765   -0.4382 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5283    0.1275   -0.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
NP0013873

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]O[C@@]1([H])C([H])([H])C(=C2[C@@]3([H])C([H])([H])C([H])([H])[C@@]4([H])[C@]5([H])[C@]([H])(O[C@]6([H])OC([H])([H])[C@](O[H])([C@]4([H])OC(=O)C([H])([H])[H])[C@]([H])(O[H])[C@]56O[H])[C@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]12C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C27H40O8/c1-12(2)15-10-17(29)25(5)9-8-24(4)16(18(15)25)7-6-14-19-21(24)35-23-27(19,32)22(30)26(31,11-33-23)20(14)34-13(3)28/h12,14,16-17,19-23,29-32H,6-11H2,1-5H3/t14-,16+,17-,19+,20+,21-,22-,23-,24+,25-,26-,27+/m0/s1

> <INCHI_KEY>
XUIRBHQMVCPJMJ-KEMOTVLSSA-N

> <FORMULA>
C27H40O8

> <MOLECULAR_WEIGHT>
492.609

> <EXACT_MASS>
492.272318248

> <ALOGPS_LOGP>
1.96

> <ALOGPS_LOGS>
-2.93

> <ALOGPS_SOLUBILITY>
5.75e-01 g/l

$$$$

     RDKit          3D

 75 80  0  0  0  0  0  0  0  0999 V2000
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   -2.1730   -2.3894   -2.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5602   -2.9893   -0.8237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6872   -3.2753    0.4966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4113   -0.6161    1.7569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7297   -2.2629    2.1252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8115   -0.7932    2.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8508   -1.2999    1.7792 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7990   -3.8523    0.5541 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8706   -1.8798    1.8424 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8922   -0.5085    2.3531 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8134    0.0622   -0.6694 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5604   -2.4585   -0.8728 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4994   -1.3144   -2.6978 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6980   -3.6650   -1.3468 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0344   -0.7114   -1.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 11 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  6
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  1
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  1
 29 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  6
 33 35  1  0
 29  5  1  0
 35  6  1  0
 22  9  1  0
 35 24  1  0
 18 10  1  0
 33 26  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  5 39  1  6
  6 40  1  1
  7 41  1  0
  7 42  1  0
  8 43  1  0
  8 44  1  0
  9 45  1  6
 12 46  1  1
 13 47  1  0
 13 48  1  0
 13 49  1  0
 14 50  1  0
 14 51  1  0
 14 52  1  0
 15 53  1  0
 15 54  1  0
 16 55  1  6
 17 56  1  0
 19 57  1  0
 19 58  1  0
 19 59  1  0
 20 60  1  0
 20 61  1  0
 21 62  1  0
 21 63  1  0
 23 64  1  0
 23 65  1  0
 23 66  1  0
 24 67  1  1
 26 68  1  6
 28 69  1  0
 28 70  1  0
 30 71  1  0
 31 72  1  6
 32 73  1  0
 34 74  1  0
 35 75  1  6
M  END

HEADER    PROTEIN                                 24-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-JUN-21         0                                  
HETATM    1  C   UNK     0       4.986   4.005   0.590  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.407   2.863  -0.158  0.00  0.00           C+0
HETATM    3  O   UNK     0       4.302   2.840  -1.394  0.00  0.00           O+0
HETATM    4  O   UNK     0       3.958   1.771   0.520  0.00  0.00           O+0
HETATM    5  C   UNK     0       3.390   0.619  -0.008  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.028   0.275   0.427  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.971   1.322   0.323  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.164   1.046  -0.582  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.047  -0.077  -0.438  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.528   0.128  -0.372  0.00  0.00           C+0
HETATM   11  C   UNK     0      -3.417   0.931   0.115  0.00  0.00           C+0
HETATM   12  C   UNK     0      -3.304   2.136   0.918  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.163   2.452   1.762  0.00  0.00           C+0
HETATM   14  C   UNK     0      -3.897   3.349   0.167  0.00  0.00           C+0
HETATM   15  C   UNK     0      -4.811   0.481  -0.307  0.00  0.00           C+0
HETATM   16  C   UNK     0      -4.619  -1.008  -0.420  0.00  0.00           C+0
HETATM   17  O   UNK     0      -4.694  -1.689   0.771  0.00  0.00           O+0
HETATM   18  C   UNK     0      -3.281  -0.994  -1.078  0.00  0.00           C+0
HETATM   19  C   UNK     0      -3.502  -0.447  -2.496  0.00  0.00           C+0
HETATM   20  C   UNK     0      -2.549  -2.265  -1.148  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.395  -2.494  -0.260  0.00  0.00           C+0
HETATM   22  C   UNK     0      -0.790  -1.271   0.407  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.533  -1.245   1.756  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.613  -1.608   0.716  0.00  0.00           C+0
HETATM   25  O   UNK     0       0.966  -2.939   0.673  0.00  0.00           O+0
HETATM   26  C   UNK     0       2.386  -2.839   0.683  0.00  0.00           C+0
HETATM   27  O   UNK     0       2.892  -2.112   1.691  0.00  0.00           O+0
HETATM   28  C   UNK     0       3.939  -1.304   1.546  0.00  0.00           C+0
HETATM   29  C   UNK     0       4.241  -0.628   0.279  0.00  0.00           C+0
HETATM   30  O   UNK     0       5.564  -0.238   0.248  0.00  0.00           O+0
HETATM   31  C   UNK     0       3.901  -1.584  -0.867  0.00  0.00           C+0
HETATM   32  O   UNK     0       3.951  -0.855  -2.028  0.00  0.00           O+0
HETATM   33  C   UNK     0       2.516  -2.006  -0.597  0.00  0.00           C+0
HETATM   34  O   UNK     0       2.063  -2.804  -1.629  0.00  0.00           O+0
HETATM   35  C   UNK     0       1.529  -0.932  -0.282  0.00  0.00           C+0
HETATM   36  H   UNK     0       5.510   3.686   1.501  0.00  0.00           H+0
HETATM   37  H   UNK     0       5.737   4.567  -0.031  0.00  0.00           H+0
HETATM   38  H   UNK     0       4.196   4.773   0.822  0.00  0.00           H+0
HETATM   39  H   UNK     0       3.372   0.762  -1.111  0.00  0.00           H+0
HETATM   40  H   UNK     0       2.116   0.070   1.540  0.00  0.00           H+0
HETATM   41  H   UNK     0       1.503   2.238  -0.090  0.00  0.00           H+0
HETATM   42  H   UNK     0       0.591   1.676   1.299  0.00  0.00           H+0
HETATM   43  H   UNK     0       0.334   1.147  -1.625  0.00  0.00           H+0
HETATM   44  H   UNK     0      -0.764   2.001  -0.669  0.00  0.00           H+0
HETATM   45  H   UNK     0      -0.955  -0.552  -1.504  0.00  0.00           H+0
HETATM   46  H   UNK     0      -4.151   2.020   1.708  0.00  0.00           H+0
HETATM   47  H   UNK     0      -1.481   3.178   1.232  0.00  0.00           H+0
HETATM   48  H   UNK     0      -2.410   2.998   2.711  0.00  0.00           H+0
HETATM   49  H   UNK     0      -1.599   1.578   2.072  0.00  0.00           H+0
HETATM   50  H   UNK     0      -4.093   4.176   0.860  0.00  0.00           H+0
HETATM   51  H   UNK     0      -4.772   2.979  -0.376  0.00  0.00           H+0
HETATM   52  H   UNK     0      -3.105   3.635  -0.562  0.00  0.00           H+0
HETATM   53  H   UNK     0      -5.573   0.742   0.425  0.00  0.00           H+0
HETATM   54  H   UNK     0      -5.025   0.854  -1.330  0.00  0.00           H+0
HETATM   55  H   UNK     0      -5.339  -1.446  -1.182  0.00  0.00           H+0
HETATM   56  H   UNK     0      -5.631  -1.941   0.948  0.00  0.00           H+0
HETATM   57  H   UNK     0      -2.818  -0.964  -3.217  0.00  0.00           H+0
HETATM   58  H   UNK     0      -3.317   0.622  -2.583  0.00  0.00           H+0
HETATM   59  H   UNK     0      -4.575  -0.604  -2.805  0.00  0.00           H+0
HETATM   60  H   UNK     0      -3.306  -3.119  -1.101  0.00  0.00           H+0
HETATM   61  H   UNK     0      -2.173  -2.389  -2.214  0.00  0.00           H+0
HETATM   62  H   UNK     0      -0.560  -2.989  -0.824  0.00  0.00           H+0
HETATM   63  H   UNK     0      -1.687  -3.275   0.497  0.00  0.00           H+0
HETATM   64  H   UNK     0      -2.411  -0.616   1.757  0.00  0.00           H+0
HETATM   65  H   UNK     0      -1.730  -2.263   2.125  0.00  0.00           H+0
HETATM   66  H   UNK     0      -0.812  -0.793   2.499  0.00  0.00           H+0
HETATM   67  H   UNK     0       0.851  -1.300   1.779  0.00  0.00           H+0
HETATM   68  H   UNK     0       2.799  -3.852   0.554  0.00  0.00           H+0
HETATM   69  H   UNK     0       4.871  -1.880   1.842  0.00  0.00           H+0
HETATM   70  H   UNK     0       3.892  -0.508   2.353  0.00  0.00           H+0
HETATM   71  H   UNK     0       5.813   0.062  -0.669  0.00  0.00           H+0
HETATM   72  H   UNK     0       4.560  -2.458  -0.873  0.00  0.00           H+0
HETATM   73  H   UNK     0       4.499  -1.314  -2.698  0.00  0.00           H+0
HETATM   74  H   UNK     0       1.698  -3.665  -1.347  0.00  0.00           H+0
HETATM   75  H   UNK     0       1.034  -0.711  -1.243  0.00  0.00           H+0
CONECT    1    2   36   37   38                                             
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   29   39                                             
CONECT    6    5    7   35   40                                             
CONECT    7    6    8   41   42                                             
CONECT    8    7    9   43   44                                             
CONECT    9    8   10   22   45                                             
CONECT   10    9   11   18                                                  
CONECT   11   10   12   15                                                  
CONECT   12   11   13   14   46                                             
CONECT   13   12   47   48   49                                             
CONECT   14   12   50   51   52                                             
CONECT   15   11   16   53   54                                             
CONECT   16   15   17   18   55                                             
CONECT   17   16   56                                                       
CONECT   18   16   19   20   10                                             
CONECT   19   18   57   58   59                                             
CONECT   20   18   21   60   61                                             
CONECT   21   20   22   62   63                                             
CONECT   22   21   23   24    9                                             
CONECT   23   22   64   65   66                                             
CONECT   24   22   25   35   67                                             
CONECT   25   24   26                                                       
CONECT   26   25   27   33   68                                             
CONECT   27   26   28                                                       
CONECT   28   27   29   69   70                                             
CONECT   29   28   30   31    5                                             
CONECT   30   29   71                                                       
CONECT   31   29   32   33   72                                             
CONECT   32   31   73                                                       
CONECT   33   31   34   35   26                                             
CONECT   34   33   74                                                       
CONECT   35   33    6   24   75                                             
CONECT   36    1                                                            
CONECT   37    1                                                            
CONECT   38    1                                                            
CONECT   39    5                                                            
CONECT   40    6                                                            
CONECT   41    7                                                            
CONECT   42    7                                                            
CONECT   43    8                                                            
CONECT   44    8                                                            
CONECT   45    9                                                            
CONECT   46   12                                                            
CONECT   47   13                                                            
CONECT   48   13                                                            
CONECT   49   13                                                            
CONECT   50   14                                                            
CONECT   51   14                                                            
CONECT   52   14                                                            
CONECT   53   15                                                            
CONECT   54   15                                                            
CONECT   55   16                                                            
CONECT   56   17                                                            
CONECT   57   19                                                            
CONECT   58   19                                                            
CONECT   59   19                                                            
CONECT   60   20                                                            
CONECT   61   20                                                            
CONECT   62   21                                                            
CONECT   63   21                                                            
CONECT   64   23                                                            
CONECT   65   23                                                            
CONECT   66   23                                                            
CONECT   67   24                                                            
CONECT   68   26                                                            
CONECT   69   28                                                            
CONECT   70   28                                                            
CONECT   71   30                                                            
CONECT   72   31                                                            
CONECT   73   32                                                            
CONECT   74   34                                                            
CONECT   75   35                                                            
MASTER        0    0    0    0    0    0    0    0   75    0  160    0
END

RDKit          3D

75 80  0  0  0  0  0  0  0  0999 V2000
    4.9862    4.0045    0.5903 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4066    2.8634   -0.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3018    2.8402   -1.3939 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9581    1.7713    0.5201 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3904    0.6194   -0.0077 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0280    0.2747    0.4269 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9707    1.3224    0.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1642    1.0455   -0.5818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0473   -0.0765   -0.4382 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5283    0.1275   -0.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4171    0.9306    0.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3044    2.1362    0.9177 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1632    2.4522    1.7624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    3.3495    0.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8108    0.4811   -0.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6188   -1.0085   -0.4200 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6936   -1.6892    0.7705 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2814   -0.9942   -1.0778 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5018   -0.4470   -2.4958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5492   -2.2647   -1.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3954   -2.4941   -0.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7902   -1.2711    0.4070 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5327   -1.2452    1.7556 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6129   -1.6078    0.7162 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9656   -2.9393    0.6727 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3863   -2.8390    0.6834 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8917   -2.1123    1.6913 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9393   -1.3035    1.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2414   -0.6278    0.2791 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5640   -0.2377    0.2481 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9013   -1.5842   -0.8672 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9514   -0.8546   -2.0276 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5159   -2.0061   -0.5968 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0625   -2.8041   -1.6289 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5294   -0.9318   -0.2822 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5098    3.6856    1.5012 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7368    4.5666   -0.0313 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1956    4.7728    0.8218 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3721    0.7619   -1.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1163    0.0698    1.5402 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5027    2.2380   -0.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5906    1.6763    1.2989 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3342    1.1468   -1.6246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7637    2.0007   -0.6686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9546   -0.5515   -1.5043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1506    2.0198    1.7077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4807    3.1782    1.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4101    2.9975    2.7110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5986    1.5783    2.0725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0928    4.1756    0.8598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7724    2.9786   -0.3756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1047    3.6346   -0.5616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5728    0.7416    0.4250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0246    0.8542   -1.3300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3389   -1.4455   -1.1823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6306   -1.9407    0.9480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8182   -0.9642   -3.2168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3171    0.6215   -2.5832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5755   -0.6039   -2.8054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3057   -3.1188   -1.1013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1730   -2.3894   -2.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5602   -2.9893   -0.8237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6872   -3.2753    0.4966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4113   -0.6161    1.7569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7297   -2.2629    2.1252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8115   -0.7932    2.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8508   -1.2999    1.7792 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7990   -3.8523    0.5541 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8706   -1.8798    1.8424 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8922   -0.5085    2.3531 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8134    0.0622   -0.6694 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5604   -2.4585   -0.8728 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4994   -1.3144   -2.6978 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6980   -3.6650   -1.3468 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0344   -0.7114   -1.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 11 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  6
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  1
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  1
 29 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  6
 33 35  1  0
 29  5  1  0
 35  6  1  0
 22  9  1  0
 35 24  1  0
 18 10  1  0
 33 26  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  5 39  1  6
  6 40  1  1
  7 41  1  0
  7 42  1  0
  8 43  1  0
  8 44  1  0
  9 45  1  6
 12 46  1  1
 13 47  1  0
 13 48  1  0
 13 49  1  0
 14 50  1  0
 14 51  1  0
 14 52  1  0
 15 53  1  0
 15 54  1  0
 16 55  1  6
 17 56  1  0
 19 57  1  0
 19 58  1  0
 19 59  1  0
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 20 61  1  0
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 23 64  1  0
 23 65  1  0
 23 66  1  0
 24 67  1  1
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 28 70  1  0
 30 71  1  0
 31 72  1  6
 32 73  1  0
 34 74  1  0
 35 75  1  6
M  END

View in JSmol View NMR Assignments

Synonyms

Not Available

Chemical Formula

C₂₇H₄₀O₈

Average Mass

492.6090 Da

Monoisotopic Mass

492.27232 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(C)C1=C2[C@H]3CC[C@H]4[C@@H]5[C@H](O[C@@H]6OC[C@](O)([C@H](O)[C@]56O)[C@@H]4OC(C)=O)[C@]3(C)CC[C@@]2(C)[C@@H](O)C1

InChI Identifier

InChI=1S/C27H40O8/c1-12(2)15-10-17(29)25(5)9-8-24(4)16(18(15)25)7-6-14-19-21(24)35-23-27(19,32)22(30)26(31,11-33-23)20(14)34-13(3)28/h12,14,16-17,19-23,29-32H,6-11H2,1-5H3/t14-,16+,17-,19+,20+,21-,22-,23-,24+,25-,26+,27+/m0/s1

InChI Key

XUIRBHQMVCPJMJ-KEMOTVLSSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Cyathus striatus	NPAtlas	25746852

Chemical Taxonomy

Classification

Not classified

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	1.96	ALOGPS
logS	-2.9	ALOGPS

External Links

Not Available

References

General References

Showing NP-Card for Striatoid F (NP0013873)

MOL for NP0013873 (Striatoid F)

3D MOL for NP0013873 (Striatoid F)

3D SDF for NP0013873 (Striatoid F)

3D-SDF for NP0013873 (Striatoid F)

PDB for NP0013873 (Striatoid F)

3D PDB for NP0013873 (Striatoid F)

SMILES for NP0013873 (Striatoid F)

INCHI for NP0013873 (Striatoid F)

Structure for NP0013873 (Striatoid F)

3D Structure for NP0013873 (Striatoid F)