NP-MRD: Showing NP-Card for 1-[(8as,12as)-1,3,6,7-tetrahydroxy-9,9,11-trimethyl-13-oxo-8h,8ah,10h,12ah-indeno[1,2-a]xanthen-8-yl]-3,4,6,8-tetrahydroxyxanthen-9-one (NP0268422)

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Record Information

Version

2.0

Created at

2022-09-08 13:32:04 UTC

Updated at

2022-09-08 13:32:04 UTC

NP-MRD ID

NP0268422

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1-[(8as,12as)-1,3,6,7-tetrahydroxy-9,9,11-trimethyl-13-oxo-8h,8ah,10h,12ah-indeno[1,2-a]xanthen-8-yl]-3,4,6,8-tetrahydroxyxanthen-9-one

Description

(3S,8S)-11,12,17,19-tetrahydroxy-5,7,7-trimethyl-9-(3,4,6,8-tetrahydroxy-9-oxo-9H-xanthen-1-yl)-14-oxapentacyclo[11.8.0.0²,¹⁰.0³,⁸.0¹⁵,²⁰]Henicosa-1(13),2(10),4,11,15,17,19-heptaen-21-one belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring. 1-[(8as,12as)-1,3,6,7-tetrahydroxy-9,9,11-trimethyl-13-oxo-8h,8ah,10h,12ah-indeno[1,2-a]xanthen-8-yl]-3,4,6,8-tetrahydroxyxanthen-9-one is found in Garcinia griffithii. Based on a literature review very few articles have been published on (3S,8S)-11,12,17,19-tetrahydroxy-5,7,7-trimethyl-9-(3,4,6,8-tetrahydroxy-9-oxo-9H-xanthen-1-yl)-14-oxapentacyclo[11.8.0.0²,¹⁰.0³,⁸.0¹⁵,²⁰]Henicosa-1(13),2(10),4,11,15,17,19-heptaen-21-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082215322D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309082215322D          

 48 55  0  0  1  0            999 V2000
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    8.2436   -0.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0650   -0.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4093   -1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2307   -1.4622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9321   -2.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1107   -1.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6335   -2.6549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7664   -1.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9450   -1.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4678   -1.8284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6007   -0.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6156    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0565    0.9317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2515    0.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6924    1.3574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875    1.1766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9382    2.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3791    2.7516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7432    2.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    3.1134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7939    3.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0397    4.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8447    4.2627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0905    5.0502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4038    3.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1580    2.8685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7171    2.2618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3530    2.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1072    1.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8569    2.2444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3023    1.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4534   -0.4839    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7438   -0.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9330   -1.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4526   -0.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7533   -1.7296    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  0  0  0  0
  4  5  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
  5 23  2  0  0  0  0
 11 23  1  0  0  0  0
  6 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 33 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 25 43  2  0  0  0  0
 31 43  1  0  0  0  0
 44 24  1  6  0  0  0
  4 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 47  1  0  0  0  0
 45 48  1  0  0  0  0
  2 48  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0268422

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=C[C@H]2[C@@H](C(C3=C(O)C(O)=C4OC5=CC(O)=CC(O)=C5C(=O)C4=C23)C2=C3C(=O)C4=C(O)C=C(O)C=C4OC3=C(O)C(O)=C2)C(C)(C)C1

> <INCHI_IDENTIFIER>
InChI=1S/C36H28O12/c1-11-4-15-21-26(32(45)33(46)35-27(21)31(44)25-17(40)6-13(38)8-20(25)48-35)22(28(15)36(2,3)10-11)14-9-18(41)29(42)34-23(14)30(43)24-16(39)5-12(37)7-19(24)47-34/h4-9,15,22,28,37-42,45-46H,10H2,1-3H3/t15-,22?,28+/m1/s1

> <INCHI_KEY>
KAPVRSRPLHVWCH-XBPLZXOSSA-N

> <FORMULA>
C36H28O12

> <MOLECULAR_WEIGHT>
652.608

> <EXACT_MASS>
652.158076342

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
67.21964157104298

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3S,8S)-11,12,17,19-tetrahydroxy-5,7,7-trimethyl-9-(3,4,6,8-tetrahydroxy-9-oxo-9H-xanthen-1-yl)-14-oxapentacyclo[11.8.0.0^{2,10}.0^{3,8}.0^{15,20}]henicosa-1,4,10,12,15,17,19-heptaen-21-one

> <JCHEM_LOGP>
6.713976112666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.337588357961271

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.909231152596589

> <JCHEM_PKA_STRONGEST_BASIC>
-5.379787736761947

> <JCHEM_POLAR_SURFACE_AREA>
214.43999999999997

> <JCHEM_REFRACTIVITY>
171.8659

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(3S,8S)-11,12,17,19-tetrahydroxy-5,7,7-trimethyl-9-(3,4,6,8-tetrahydroxy-9-oxoxanthen-1-yl)-14-oxapentacyclo[11.8.0.0^{2,10}.0^{3,8}.0^{15,20}]henicosa-1,4,10,12,15,17,19-heptaen-21-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0       8.367  -5.523   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.349  -3.983   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.673  -3.198   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.656  -1.658   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.788  -0.614   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.145   0.785   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      11.036   2.042   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      10.393   3.441   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      12.569   1.899   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      13.460   3.155   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      13.212   0.499   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      14.745   0.356   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      15.388  -1.044   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      16.921  -1.187   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      17.564  -2.586   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      19.097  -2.730   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      16.673  -3.843   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      15.140  -3.699   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      14.249  -4.956   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      14.497  -2.300   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      12.964  -2.157   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      12.073  -3.413   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      12.321  -0.757   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       8.616   0.607   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       7.572   1.739   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       6.070   1.401   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.026   2.534   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       3.523   2.196   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       5.485   4.004   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       4.441   5.136   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       6.987   4.342   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       7.446   5.812   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       8.949   6.149   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       9.408   7.619   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      10.910   7.957   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      11.369   9.427   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      11.954   6.825   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      11.495   5.355   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      12.539   4.222   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       9.992   5.017   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       9.533   3.547   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      10.933   4.189   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0       8.031   3.209   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       8.313  -0.903   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       6.988  -1.689   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       5.475  -1.974   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       6.445  -0.248   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       7.006  -3.229   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   48                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   44                                                  
CONECT    5    4    6   23                                                  
CONECT    6    5    7   24                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   23                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   20                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   13   21                                                  
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21    5   11                                                  
CONECT   24    6   25   44                                                  
CONECT   25   24   26   43                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   43                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34   40                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38                                                       
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   33   41                                                  
CONECT   41   40   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41   25   31                                                  
CONECT   44   24    4   45                                                  
CONECT   45   44   46   47   48                                             
CONECT   46   45                                                            
CONECT   47   45                                                            
CONECT   48   45    2                                                       
MASTER        0    0    0    0    0    0    0    0   48    0  110    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₆H₂₈O₁₂

Average Mass

652.6080 Da

Monoisotopic Mass

652.15808 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC1=C[C@H]2[C@@H](C(C3=C(O)C(O)=C4OC5=CC(O)=CC(O)=C5C(=O)C4=C23)C2=C3C(=O)C4=C(O)C=C(O)C=C4OC3=C(O)C(O)=C2)C(C)(C)C1

InChI Identifier

InChI=1S/C36H28O12/c1-11-4-15-21-26(32(45)33(46)35-27(21)31(44)25-17(40)6-13(38)8-20(25)48-35)22(28(15)36(2,3)10-11)14-9-18(41)29(42)34-23(14)30(43)24-16(39)5-12(37)7-19(24)47-34/h4-9,15,22,28,37-42,45-46H,10H2,1-3H3/t15-,22?,28+/m1/s1

InChI Key

KAPVRSRPLHVWCH-XBPLZXOSSA-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, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, 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
Garcinia griffithii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

1-benzopyrans

Direct Parent

Xanthones

Alternative Parents

Substituents

Xanthone
Fluorene
Chromone
Indane
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Pyranone
Benzenoid
Pyran
Heteroaromatic compound
Vinylogous acid
Oxacycle
Polyol
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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

137705277

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 1-[(8as,12as)-1,3,6,7-tetrahydroxy-9,9,11-trimethyl-13-oxo-8h,8ah,10h,12ah-indeno[1,2-a]xanthen-8-yl]-3,4,6,8-tetrahydroxyxanthen-9-one (NP0268422)

MOL for NP0268422 (1-[(8as,12as)-1,3,6,7-tetrahydroxy-9,9,11-trimethyl-13-oxo-8h,8ah,10h,12ah-indeno[1,2-a]xanthen-8-yl]-3,4,6,8-tetrahydroxyxanthen-9-one)

3D MOL for NP0268422 (1-[(8as,12as)-1,3,6,7-tetrahydroxy-9,9,11-trimethyl-13-oxo-8h,8ah,10h,12ah-indeno[1,2-a]xanthen-8-yl]-3,4,6,8-tetrahydroxyxanthen-9-one)

3D SDF for NP0268422 (1-[(8as,12as)-1,3,6,7-tetrahydroxy-9,9,11-trimethyl-13-oxo-8h,8ah,10h,12ah-indeno[1,2-a]xanthen-8-yl]-3,4,6,8-tetrahydroxyxanthen-9-one)

3D-SDF for NP0268422 (1-[(8as,12as)-1,3,6,7-tetrahydroxy-9,9,11-trimethyl-13-oxo-8h,8ah,10h,12ah-indeno[1,2-a]xanthen-8-yl]-3,4,6,8-tetrahydroxyxanthen-9-one)

PDB for NP0268422 (1-[(8as,12as)-1,3,6,7-tetrahydroxy-9,9,11-trimethyl-13-oxo-8h,8ah,10h,12ah-indeno[1,2-a]xanthen-8-yl]-3,4,6,8-tetrahydroxyxanthen-9-one)

3D PDB for NP0268422 (1-[(8as,12as)-1,3,6,7-tetrahydroxy-9,9,11-trimethyl-13-oxo-8h,8ah,10h,12ah-indeno[1,2-a]xanthen-8-yl]-3,4,6,8-tetrahydroxyxanthen-9-one)

SMILES for NP0268422 (1-[(8as,12as)-1,3,6,7-tetrahydroxy-9,9,11-trimethyl-13-oxo-8h,8ah,10h,12ah-indeno[1,2-a]xanthen-8-yl]-3,4,6,8-tetrahydroxyxanthen-9-one)

INCHI for NP0268422 (1-[(8as,12as)-1,3,6,7-tetrahydroxy-9,9,11-trimethyl-13-oxo-8h,8ah,10h,12ah-indeno[1,2-a]xanthen-8-yl]-3,4,6,8-tetrahydroxyxanthen-9-one)

Structure for NP0268422 (1-[(8as,12as)-1,3,6,7-tetrahydroxy-9,9,11-trimethyl-13-oxo-8h,8ah,10h,12ah-indeno[1,2-a]xanthen-8-yl]-3,4,6,8-tetrahydroxyxanthen-9-one)

3D Structure for NP0268422 (1-[(8as,12as)-1,3,6,7-tetrahydroxy-9,9,11-trimethyl-13-oxo-8h,8ah,10h,12ah-indeno[1,2-a]xanthen-8-yl]-3,4,6,8-tetrahydroxyxanthen-9-one)