NP-MRD: Showing NP-Card for Bullatetrocin (NP0337440)

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Record Information

Version

2.0

Created at

2024-09-11 10:52:31 UTC

Updated at

2024-09-11 10:52:31 UTC

NP-MRD ID

NP0337440

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Bullatetrocin

Description

Bullatetrocin was first documented in 1996 (PMID: 8946743). Based on a literature review very few articles have been published on Bullatetrocin.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 05262313242D          

 45 47  0  0  0  0            999 V2000
  -16.1602   10.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2597    9.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4457   10.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8466    9.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1322    9.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5611    9.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5823    9.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2756    9.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2968    9.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9901    9.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0112    9.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8734   10.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1589   10.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7045    9.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5879   10.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7257    9.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4444   10.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4190    9.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3023   10.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4402    9.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7300   10.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9554   10.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2148    9.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7623   10.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4078    9.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8871    9.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4392    9.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1335    9.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7313   10.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0168   10.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1547    9.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0155   10.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8691    9.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3010   10.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1748    9.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9953    9.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2197   10.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7313   11.2612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0168    9.1987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1547    8.3173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0155   11.2612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6066   10.9274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0267   10.5469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6228    9.2193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5473   10.3592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16 11  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
 27  2  1  0  0  0  0
 27 26  1  0  0  0  0
 28 18  1  0  0  0  0
 28 26  2  0  0  0  0
 29  3  1  0  0  0  0
 30 19  1  0  0  0  0
 30 29  1  0  0  0  0
 31 20  1  0  0  0  0
 32 21  1  0  0  0  0
 33 22  1  0  0  0  0
 33 31  1  0  0  0  0
 34 23  1  0  0  0  0
 34 32  1  0  0  0  0
 35 24  1  0  0  0  0
 36 25  1  0  0  0  0
 36 35  1  0  0  0  0
 37 28  1  0  0  0  0
 38 29  1  0  0  0  0
 39 30  1  0  0  0  0
 40 31  1  0  0  0  0
 41 32  1  0  0  0  0
 42 37  2  0  0  0  0
 43 27  1  0  0  0  0
 43 37  1  0  0  0  0
 44 33  1  0  0  0  0
 44 35  1  0  0  0  0
 45 34  1  0  0  0  0
 45 36  1  0  0  0  0
M  END


  Mrv2104 05262313242D          

 45 47  0  0  0  0            999 V2000
  -16.1602   10.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2597    9.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4457   10.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8466    9.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1322    9.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5611    9.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5823    9.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2756    9.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2968    9.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9901    9.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0112    9.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8734   10.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1589   10.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7045    9.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5879   10.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7257    9.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4444   10.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4190    9.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3023   10.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4402    9.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7300   10.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9554   10.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2148    9.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7623   10.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4078    9.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8871    9.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4392    9.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1335    9.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7313   10.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0168   10.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1547    9.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0155   10.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8691    9.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3010   10.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1748    9.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9953    9.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2197   10.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7313   11.2612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0168    9.1987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1547    8.3173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0155   11.2612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6066   10.9274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0267   10.5469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6228    9.2193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5473   10.3592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16 11  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
 27  2  1  0  0  0  0
 27 26  1  0  0  0  0
 28 18  1  0  0  0  0
 28 26  2  0  0  0  0
 29  3  1  0  0  0  0
 30 19  1  0  0  0  0
 30 29  1  0  0  0  0
 31 20  1  0  0  0  0
 32 21  1  0  0  0  0
 33 22  1  0  0  0  0
 33 31  1  0  0  0  0
 34 23  1  0  0  0  0
 34 32  1  0  0  0  0
 35 24  1  0  0  0  0
 36 25  1  0  0  0  0
 36 35  1  0  0  0  0
 37 28  1  0  0  0  0
 38 29  1  0  0  0  0
 39 30  1  0  0  0  0
 40 31  1  0  0  0  0
 41 32  1  0  0  0  0
 42 37  2  0  0  0  0
 43 27  1  0  0  0  0
 43 37  1  0  0  0  0
 44 33  1  0  0  0  0
 44 35  1  0  0  0  0
 45 34  1  0  0  0  0
 45 36  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0337440

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(O)C(O)CCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCCCCCC1=CC(C)OC1=O

> <INCHI_IDENTIFIER>
InChI=1/C37H66O8/c1-3-29(38)30(39)19-15-12-13-17-21-32(41)34-23-25-36(45-34)35-24-22-33(44-35)31(40)20-16-11-9-7-5-4-6-8-10-14-18-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3

> <INCHI_KEY>
FXUFAUVCSYAYLC-UHFFFAOYNA-N

> <FORMULA>
C37H66O8

> <MOLECULAR_WEIGHT>
638.927

> <EXACT_MASS>
638.475769085

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
111

> <JCHEM_AVERAGE_POLARIZABILITY>
78.66679733101475

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-{13-hydroxy-13-[5'-(1,8,9-trihydroxyundecyl)-[2,2'-bioxolan]-5-yl]tridecyl}-5-methyl-2,5-dihydrofuran-2-one

> <JCHEM_LOGP>
7.607288326333333

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.605683945404365

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.00529323780028

> <JCHEM_PKA_STRONGEST_BASIC>
-3.140073552325713

> <JCHEM_POLAR_SURFACE_AREA>
125.68000000000002

> <JCHEM_REFRACTIVITY>
177.75809999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
25

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
3-{13-hydroxy-13-[5'-(1,8,9-trihydroxyundecyl)-[2,2'-bioxolan]-5-yl]tridecyl}-5-methyl-5H-furan-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 26-MAY-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-MAY-23         0                                  
HETATM    1  C   UNK     0     -30.166  19.481   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      13.551  18.193   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -28.832  18.711   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.580  17.836   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.247  17.066   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.914  17.066   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.087  17.836   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.248  17.836   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.421  17.066   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.582  17.066   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -3.754  17.836   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0     -22.164  19.481   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0     -20.830  18.711   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.915  17.836   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0     -23.497  18.711   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -5.088  17.066   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0     -19.496  19.481   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.249  17.066   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0     -24.831  19.481   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -6.422  17.836   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0     -18.163  18.711   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -9.250  19.367   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0     -15.334  17.179   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0     -10.756  19.688   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0     -13.828  16.859   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      10.989  17.209   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      12.020  18.354   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       9.583  17.836   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0     -27.498  19.481   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0     -26.165  18.711   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -7.755  17.066   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0     -16.829  19.481   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -9.089  17.836   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0     -15.495  18.711   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0     -11.526  18.354   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0     -13.058  18.193   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       9.743  19.367   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0     -27.498  21.021   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0     -26.165  17.171   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      -7.755  15.526   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0     -16.829  21.021   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       8.599  20.398   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0      11.250  19.688   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0     -10.496  17.209   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0     -14.088  19.337   0.000  0.00  0.00           O+0
CONECT    1    3                                                            
CONECT    2   27                                                            
CONECT    3    1   29                                                       
CONECT    4    5    6                                                       
CONECT    5    4    7                                                       
CONECT    6    4    8                                                       
CONECT    7    5    9                                                       
CONECT    8    6   10                                                       
CONECT    9    7   11                                                       
CONECT   10    8   14                                                       
CONECT   11    9   16                                                       
CONECT   12   13   15                                                       
CONECT   13   12   17                                                       
CONECT   14   10   18                                                       
CONECT   15   12   19                                                       
CONECT   16   11   20                                                       
CONECT   17   13   21                                                       
CONECT   18   14   28                                                       
CONECT   19   15   30                                                       
CONECT   20   16   31                                                       
CONECT   21   17   32                                                       
CONECT   22   24   33                                                       
CONECT   23   25   34                                                       
CONECT   24   22   35                                                       
CONECT   25   23   36                                                       
CONECT   26   27   28                                                       
CONECT   27    2   26   43                                                  
CONECT   28   18   26   37                                                  
CONECT   29    3   30   38                                                  
CONECT   30   19   29   39                                                  
CONECT   31   20   33   40                                                  
CONECT   32   21   34   41                                                  
CONECT   33   22   31   44                                                  
CONECT   34   23   32   45                                                  
CONECT   35   24   36   44                                                  
CONECT   36   25   35   45                                                  
CONECT   37   28   42   43                                                  
CONECT   38   29                                                            
CONECT   39   30                                                            
CONECT   40   31                                                            
CONECT   41   32                                                            
CONECT   42   37                                                            
CONECT   43   27   37                                                       
CONECT   44   33   35                                                       
CONECT   45   34   36                                                       
MASTER        0    0    0    0    0    0    0    0   45    0   94    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₇H₆₆O₈

Average Mass

638.9270 Da

Monoisotopic Mass

638.47577 Da

IUPAC Name

3-{13-hydroxy-13-[5'-(1,8,9-trihydroxyundecyl)-[2,2'-bioxolan]-5-yl]tridecyl}-5-methyl-2,5-dihydrofuran-2-one

Traditional Name

3-{13-hydroxy-13-[5'-(1,8,9-trihydroxyundecyl)-[2,2'-bioxolan]-5-yl]tridecyl}-5-methyl-5H-furan-2-one

CAS Registry Number

Not Available

SMILES

CCC(O)C(O)CCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCCCCCC1=CC(C)OC1=O

InChI Identifier

InChI=1/C37H66O8/c1-3-29(38)30(39)19-15-12-13-17-21-32(41)34-23-25-36(45-34)35-24-22-33(44-35)31(40)20-16-11-9-7-5-4-6-8-10-14-18-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3

InChI Key

FXUFAUVCSYAYLC-UHFFFAOYNA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

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	7.61	ChemAxon
pKa (Strongest Acidic)	9.01	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	125.68 Å²	ChemAxon
Rotatable Bond Count	25	ChemAxon
Refractivity	177.76 m³·mol⁻¹	ChemAxon
Polarizability	78.67 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

He K, Shi G, Zhao GX, Zeng L, Ye Q, Schwedler JT, Wood KV, McLaughlin JL: Three new adjacent bis-tetrahydrofuran acetogenins with four hydroxyl groups from Asimina triloba. J Nat Prod. 1996 Nov;59(11):1029-34. doi: 10.1021/np9605145. [PubMed:8946743 ]

Showing NP-Card for Bullatetrocin (NP0337440)

MOL for NP0337440 (Bullatetrocin)

3D MOL for NP0337440 (Bullatetrocin)

3D SDF for NP0337440 (Bullatetrocin)

3D-SDF for NP0337440 (Bullatetrocin)

PDB for NP0337440 (Bullatetrocin)

3D PDB for NP0337440 (Bullatetrocin)

SMILES for NP0337440 (Bullatetrocin)

INCHI for NP0337440 (Bullatetrocin)

Structure for NP0337440 (Bullatetrocin)

3D Structure for NP0337440 (Bullatetrocin)