NP-MRD: Showing NP-Card for Citrisorbicillinol (NP0332445)

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Record Information

Version

2.0

Created at

2024-01-30 04:00:26 UTC

Updated at

2024-09-03 04:19:15 UTC

NP-MRD ID

NP0332445

Natural Product DOI

https://doi.org/10.57994/1686

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Citrisorbicillinol

Description

Citrisorbicillinol belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Citrisorbicillinol was first documented in 2024 (PMID: 38286315). Based on a literature review very few articles have been published on Citrisorbicillinol.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 01302404002D          

 38 42  0  0  1  0            999 V2000
   -0.7778    0.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0008    0.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7616    0.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1958    0.1158    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9711   -0.8606    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8036   -1.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6663   -1.3829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1541   -1.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3821   -0.2490    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4392   -0.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4407   -1.6282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6990    0.7696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0492   -0.1197    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2787   -0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7906    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6103    0.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1969    0.6848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9926    0.4669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2017   -0.3312    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9513    0.0133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0278    0.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6711   -1.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6151   -0.9113    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8242   -1.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8194   -0.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1843   -1.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3892   -0.9321    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4614   -1.7539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7858   -2.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3234   -2.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6762    1.1378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0100    1.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4529    2.2556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8155    1.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0639    2.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8694    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4265    2.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2321    2.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  9  8  1  0  0  0  0
  9  2  1  0  0  0  0
  9 10  1  6  0  0  0
  8 11  2  0  0  0  0
  4 12  1  1  0  0  0
  4 13  1  0  0  0  0
 13 14  1  6  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  6  0  0  0
 20 21  1  0  0  0  0
 19 22  1  1  0  0  0
 19 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 16 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 26  1  0  0  0  0
 13 27  1  0  0  0  0
 27  7  1  0  0  0  0
 27 28  1  6  0  0  0
 28 29  1  0  0  0  0
 26 30  1  0  0  0  0
 15 31  2  0  0  0  0
  3 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
M  END


  Mrv2104 01302404002D          

 38 42  0  0  1  0            999 V2000
   -0.7778    0.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0008    0.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7616    0.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1958    0.1158    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9711   -0.8606    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8036   -1.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6663   -1.3829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1541   -1.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3821   -0.2490    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4392   -0.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4407   -1.6282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6990    0.7696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0492   -0.1197    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2787   -0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7906    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6103    0.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1969    0.6848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9926    0.4669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2017   -0.3312    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9513    0.0133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0278    0.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6711   -1.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6151   -0.9113    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8242   -1.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8194   -0.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1843   -1.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3892   -0.9321    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4614   -1.7539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7858   -2.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3234   -2.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6762    1.1378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0100    1.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4529    2.2556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8155    1.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0639    2.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8694    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4265    2.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2321    2.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  9  8  1  0  0  0  0
  9  2  1  0  0  0  0
  9 10  1  6  0  0  0
  8 11  2  0  0  0  0
  4 12  1  1  0  0  0
  4 13  1  0  0  0  0
 13 14  1  6  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  6  0  0  0
 20 21  1  0  0  0  0
 19 22  1  1  0  0  0
 19 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 16 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 26  1  0  0  0  0
 13 27  1  0  0  0  0
 27  7  1  0  0  0  0
 27 28  1  6  0  0  0
 28 29  1  0  0  0  0
 26 30  1  0  0  0  0
 15 31  2  0  0  0  0
  3 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0332445

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12\C(=C(\O)/C=C/C=C/C)C(=O)[C@@]3(C)C[C@@]11C(=O)C4=CO[C@](C)(OC)[C@@H](C)C4=C(C)[C@@]1(OC)O[C@]2(C)C3=O

> <INCHI_IDENTIFIER>
InChI=1S/C29H34O8/c1-9-10-11-12-18(30)20-21-26(5)24(33)25(4,23(20)32)14-28(21)22(31)17-13-36-27(6,34-7)15(2)19(17)16(3)29(28,35-8)37-26/h9-13,15,21,30H,14H2,1-8H3/b10-9+,12-11+,20-18-/t15-,21-,25+,26-,27-,28-,29+/m0/s1

> <INCHI_KEY>
QSMYOAFIVHCURV-RRRJNURXSA-N

> <FORMULA>
C29H34O8

> <MOLECULAR_WEIGHT>
510.583

> <EXACT_MASS>
510.225368055

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
71

> <JCHEM_AVERAGE_POLARIZABILITY>
53.63494034010576

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,6S,7S,10R,12S,14R,16Z,17R)-16-[(2E,4E)-1-hydroxyhexa-2,4-dien-1-ylidene]-6,10-dimethoxy-6,7,9,12,14-pentamethyl-5,11-dioxapentacyclo[12.3.1.0^{1,10}.0^{3,8}.0^{12,17}]octadeca-3,8-diene-2,13,15-trione

> <JCHEM_LOGP>
4.336968791333332

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.224705166890544

> <JCHEM_PKA_STRONGEST_BASIC>
-3.8556908991054413

> <JCHEM_POLAR_SURFACE_AREA>
108.36000000000003

> <JCHEM_REFRACTIVITY>
139.645

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,6S,7S,10R,12S,14R,16Z,17R)-16-[(2E,4E)-1-hydroxyhexa-2,4-dien-1-ylidene]-6,10-dimethoxy-6,7,9,12,14-pentamethyl-5,11-dioxapentacyclo[12.3.1.0^{1,10}.0^{3,8}.0^{12,17}]octadeca-3,8-diene-2,13,15-trione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 30-JAN-24   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   30-JAN-24         0                                  
HETATM    1  O   UNK     0      -1.452   1.462   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       0.001   0.953   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.422   1.606   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.232   0.216   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.813  -1.606   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.500  -3.114   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       3.110  -2.581   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       0.288  -1.972   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.713  -0.465   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.820  -0.611   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -0.823  -3.039   0.000  0.00  0.00           O+0
HETATM   12  H   UNK     0       3.172   1.437   0.000  0.00  0.00           H+0
HETATM   13  C   UNK     0       3.825  -0.223   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.387  -0.769   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.209   0.599   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.739   0.195   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.834   1.278   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       9.320   0.871   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       9.710  -0.618   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      11.109   0.025   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      11.252   1.558   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      10.586  -1.885   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.615  -1.701   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.005  -3.191   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       7.130  -1.294   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.944  -2.337   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.460  -1.740   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       4.595  -3.274   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       3.333  -4.158   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       6.204  -3.855   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       4.996   2.124   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       1.885   3.075   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       0.845   4.210   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       3.389   3.407   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       3.853   4.876   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       5.356   5.208   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       6.396   4.073   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       7.900   4.405   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    9                                                  
CONECT    3    2    4   32                                                  
CONECT    4    3    5   12   13                                             
CONECT    5    4    6    7    8                                             
CONECT    6    5                                                            
CONECT    7    5   27                                                       
CONECT    8    5    9   11                                                  
CONECT    9    8    2   10   14                                             
CONECT   10    9                                                            
CONECT   11    8                                                            
CONECT   12    4                                                            
CONECT   13    4   14   15   27                                             
CONECT   14   13    9                                                       
CONECT   15   13   16   31                                                  
CONECT   16   15   17   25                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   22   23                                             
CONECT   20   19   21                                                       
CONECT   21   20                                                            
CONECT   22   19                                                            
CONECT   23   19   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   16   26                                                  
CONECT   26   25   27   30                                                  
CONECT   27   26   13    7   28                                             
CONECT   28   27   29                                                       
CONECT   29   28                                                            
CONECT   30   26                                                            
CONECT   31   15                                                            
CONECT   32    3   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   84    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₉H₃₄O₈

Average Mass

510.5830 Da

Monoisotopic Mass

510.22537 Da

IUPAC Name

(1S,6S,7S,10R,12S,14R,16Z,17R)-16-[(2E,4E)-1-hydroxyhexa-2,4-dien-1-ylidene]-6,10-dimethoxy-6,7,9,12,14-pentamethyl-5,11-dioxapentacyclo[12.3.1.0^{1,10}.0^{3,8}.0^{12,17}]octadeca-3,8-diene-2,13,15-trione

Traditional Name

CAS Registry Number

Not Available

SMILES

[H][C@@]12\C(=C(\O)/C=C/C=C/C)C(=O)[C@@]3(C)C[C@@]11C(=O)C4=CO[C@](C)(OC)[C@@H](C)C4=C(C)[C@@]1(OC)O[C@]2(C)C3=O

InChI Identifier

InChI=1S/C29H34O8/c1-9-10-11-12-18(30)20-21-26(5)24(33)25(4,23(20)32)14-28(21)22(31)17-13-36-27(6,34-7)15(2)19(17)16(3)29(28,35-8)37-26/h9-13,15,21,30H,14H2,1-8H3/b10-9+,12-11+,20-18-/t15-,21-,25+,26-,27-,28-,29+/m0/s1

InChI Key

QSMYOAFIVHCURV-RRRJNURXSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)	545103346@qq.com	Nanjing University of Chinese Medicine	Ying Zhang	2024-05-02	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
citrinum ZY-2		Not Available

Chemical Taxonomy

Description

This compound belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Diterpenoids

Alternative Parents

Substituents

Diterpenoid
Ketal
Cyclohexenone
Oxepane
Alpha-branched alpha,beta-unsaturated-ketone
Vinylogous acid
Alpha,beta-unsaturated ketone
Tetrahydrofuran
Enone
Acryloyl-group
Ketone
Oxacycle
Organoheterocyclic compound
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

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	4.34	ChemAxon
pKa (Strongest Acidic)	9.22	ChemAxon
pKa (Strongest Basic)	-3.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	108.36 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	139.64 m³·mol⁻¹	ChemAxon
Polarizability	53.63 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	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

Not Available

Showing NP-Card for Citrisorbicillinol (NP0332445)

MOL for NP0332445 (Citrisorbicillinol)

3D MOL for NP0332445 (Citrisorbicillinol)

3D SDF for NP0332445 (Citrisorbicillinol)

3D-SDF for NP0332445 (Citrisorbicillinol)

PDB for NP0332445 (Citrisorbicillinol)

3D PDB for NP0332445 (Citrisorbicillinol)

SMILES for NP0332445 (Citrisorbicillinol)

INCHI for NP0332445 (Citrisorbicillinol)

Structure for NP0332445 (Citrisorbicillinol)

3D Structure for NP0332445 (Citrisorbicillinol)