NP-MRD: Showing NP-Card for 6-{17-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl}-2-methyl-4-oxohept-5-enoic acid (NP0319017)

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Record Information

Version

2.0

Created at

2022-09-11 19:50:22 UTC

Updated at

2022-09-11 19:50:23 UTC

NP-MRD ID

NP0319017

Secondary Accession Numbers

None

Natural Product Identification

Common Name

6-{17-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl}-2-methyl-4-oxohept-5-enoic acid

Description

6-{17-Hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]Octadec-11-en-15-yl}-2-methyl-4-oxohept-5-enoic acid belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. 6-{17-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl}-2-methyl-4-oxohept-5-enoic acid is found in Ganoderma applanatum and Ganoderma gibbosum. Based on a literature review very few articles have been published on 6-{17-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]Octadec-11-en-15-yl}-2-methyl-4-oxohept-5-enoic acid.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309112221502D          

 37 41  0  0  0  0            999 V2000
    2.0850    1.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7741    0.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9568    0.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6459   -0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1523   -1.1480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1713   -0.6095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4822   -1.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0242   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2994   -1.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6103   -2.2507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8058   -0.8352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2804   -0.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0511   -1.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7340   -1.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7608   -2.3510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3853   -1.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3258   -1.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1050   -0.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7451    0.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    0.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3565    1.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4489    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -0.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5414   -0.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2611    0.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0732   -0.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8853   -0.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1656   -0.9702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9777   -1.1154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6338   -1.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3473   -2.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3497   -2.3755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8217   -1.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2898   -2.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4777   -1.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6656   -1.7960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1974   -1.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  4  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 24 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 23 37  1  0  0  0  0
 35 37  1  0  0  0  0
 16 37  1  0  0  0  0
M  END


  Mrv1652309112221502D          

 37 41  0  0  0  0            999 V2000
    2.0850    1.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7741    0.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9568    0.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6459   -0.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1523   -1.1480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1713   -0.6095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4822   -1.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0242   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2994   -1.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6103   -2.2507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8058   -0.8352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2804   -0.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0511   -1.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7340   -1.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7608   -2.3510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3853   -1.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3258   -1.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1050   -0.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7451    0.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    0.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3565    1.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4489    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -0.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5414   -0.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2611    0.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0732   -0.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8853   -0.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1656   -0.9702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9777   -1.1154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6338   -1.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3473   -2.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3497   -2.3755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8217   -1.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2898   -2.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4777   -1.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6656   -1.7960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1974   -1.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  4  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 24 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 23 37  1  0  0  0  0
 35 37  1  0  0  0  0
 16 37  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0319017

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(CC(=O)C=C(C)C1CC(O)C2(C)C34OC3CC3C(C)(C)C(=O)CCC3(C)C4=CC(=O)C12C)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)25(35)36)18-12-23(34)29(7)28(18,6)22(33)13-20-27(5)9-8-21(32)26(3,4)19(27)14-24-30(20,29)37-24/h10,13,16,18-19,23-24,34H,8-9,11-12,14H2,1-7H3,(H,35,36)

> <INCHI_KEY>
FGUBEKCWBCCEIB-UHFFFAOYSA-N

> <FORMULA>
C30H40O7

> <MOLECULAR_WEIGHT>
512.643

> <EXACT_MASS>
512.277403628

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
77

> <JCHEM_AVERAGE_POLARIZABILITY>
55.72158210031714

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-{17-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.0^{1,3}.0^{5,10}.0^{14,18}]octadec-11-en-15-yl}-2-methyl-4-oxohept-5-enoic acid

> <JCHEM_LOGP>
3.975169267666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
14.552637531533595

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.094238352661454

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9944750539317093

> <JCHEM_POLAR_SURFACE_AREA>
121.27000000000001

> <JCHEM_REFRACTIVITY>
137.70929999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
6-{17-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.0^{1,3}.0^{5,10}.0^{14,18}]octadec-11-en-15-yl}-2-methyl-4-oxohept-5-enoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  C   UNK     0       3.892   2.137   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.312   0.710   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.786   0.499   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.206  -0.927   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       2.151  -2.143   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -0.320  -1.138   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.900  -2.564   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.045  -3.780   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.426  -2.775   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -3.006  -4.201   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      -3.371  -1.559   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       4.257  -0.506   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.829  -1.985   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.103  -2.849   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       5.153  -4.388   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       6.319  -1.904   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.208  -3.440   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.796  -0.456   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.124   0.930   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.789   0.722   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       6.266   2.170   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       8.305   0.451   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.828  -0.998   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      10.344  -1.269   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       9.821   0.179   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      11.337  -0.092   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      12.853  -0.363   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      13.376  -1.811   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      14.892  -2.082   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      12.383  -2.988   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      13.715  -3.762   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      11.853  -4.434   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      10.867  -2.717   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       9.874  -3.895   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       8.358  -3.624   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       6.842  -3.353   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       7.835  -2.175   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   12                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    2   13   18                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   18   37                                             
CONECT   17   16                                                            
CONECT   18   16   12   19   20                                             
CONECT   19   18                                                            
CONECT   20   18   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24   37                                                  
CONECT   24   23   25   26   33                                             
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   32   33                                             
CONECT   31   30                                                            
CONECT   32   30                                                            
CONECT   33   30   24   34                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35   37                                                       
CONECT   37   36   23   35   16                                             
MASTER        0    0    0    0    0    0    0    0   37    0   82    0
END

View in JSmol

Synonyms

Value	Source
6-{17-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.0,.0,.0,]octadec-11-en-15-yl}-2-methyl-4-oxohept-5-enoate	Generator

Chemical Formula

C₃₀H₄₀O₇

Average Mass

512.6430 Da

Monoisotopic Mass

512.27740 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(CC(=O)C=C(C)C1CC(O)C2(C)C34OC3CC3C(C)(C)C(=O)CCC3(C)C4=CC(=O)C12C)C(O)=O

InChI Identifier

InChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)25(35)36)18-12-23(34)29(7)28(18,6)22(33)13-20-27(5)9-8-21(32)26(3,4)19(27)14-24-30(20,29)37-24/h10,13,16,18-19,23-24,34H,8-9,11-12,14H2,1-7H3,(H,35,36)

InChI Key

FGUBEKCWBCCEIB-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Ganoderma applanatum	LOTUS Database	35616633
Ganoderma gibbosum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
Cholane-skeleton
Medium-chain keto acid
Gamma-keto acid
Branched fatty acid
Heterocyclic fatty acid
Hydroxy fatty acid
Oxepane
Cyclohexenone
Methyl-branched fatty acid
Unsaturated fatty acid
Fatty acyl
Keto acid
Acryloyl-group
Alpha,beta-unsaturated ketone
Cyclic alcohol
Enone
Cyclic ketone
Secondary alcohol
Ketone
Oxacycle
Organoheterocyclic compound
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Dialkyl ether
Oxirane
Ether
Carbonyl group
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organic oxygen compound
Alcohol
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

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

73087322

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 6-{17-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl}-2-methyl-4-oxohept-5-enoic acid (NP0319017)

MOL for NP0319017 (6-{17-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl}-2-methyl-4-oxohept-5-enoic acid)

3D MOL for NP0319017 (6-{17-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl}-2-methyl-4-oxohept-5-enoic acid)

3D SDF for NP0319017 (6-{17-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl}-2-methyl-4-oxohept-5-enoic acid)

3D-SDF for NP0319017 (6-{17-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl}-2-methyl-4-oxohept-5-enoic acid)

PDB for NP0319017 (6-{17-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl}-2-methyl-4-oxohept-5-enoic acid)

3D PDB for NP0319017 (6-{17-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl}-2-methyl-4-oxohept-5-enoic acid)

SMILES for NP0319017 (6-{17-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl}-2-methyl-4-oxohept-5-enoic acid)

INCHI for NP0319017 (6-{17-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl}-2-methyl-4-oxohept-5-enoic acid)

Structure for NP0319017 (6-{17-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl}-2-methyl-4-oxohept-5-enoic acid)

3D Structure for NP0319017 (6-{17-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl}-2-methyl-4-oxohept-5-enoic acid)