NP-MRD: Showing NP-Card for 6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5,8-trimethylidene-octahydroazuleno[6,5-b]furan-2-one (NP0331070)

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Record Information

Version

1.0

Created at

2022-09-12 17:03:16 UTC

Updated at

2022-09-12 17:03:17 UTC

NP-MRD ID

NP0331070

Secondary Accession Numbers

None

Natural Product Identification

Common Name

6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5,8-trimethylidene-octahydroazuleno[6,5-b]furan-2-one

Description

6-{[3,4-Dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5,8-trimethylidene-dodecahydroazuleno[6,5-b]furan-2-one belongs to the class of organic compounds known as guaianolides and derivatives. These are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative. Based on a literature review very few articles have been published on 6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5,8-trimethylidene-dodecahydroazuleno[6,5-b]furan-2-one.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309122219032D          

 40 44  0  0  0  0            999 V2000
    1.0366   -2.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1106   -1.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4893   -1.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3150   -1.3159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8136   -0.3737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6352   -0.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1496    0.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9746    0.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3326    0.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4890   -0.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3107   -0.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6349   -1.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4392   -1.3159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6824   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1213   -2.7090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3644   -3.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8033   -4.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0465   -4.8904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1688   -3.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4119   -4.4692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2162   -4.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7774   -4.0481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5817   -4.2316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1428   -3.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8997   -2.8385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8249   -5.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -5.2036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2637   -5.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5069   -6.4131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4594   -5.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8983   -6.0459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7299   -3.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5342   -3.2597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4867   -2.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0479   -1.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0136   -1.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0876   -2.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3054   -1.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5621   -1.6099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8188   -1.2519    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
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 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
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 21 30  1  0  0  0  0
 30 31  1  0  0  0  0
 19 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 14 34  1  0  0  0  0
 34 35  1  0  0  0  0
 12 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 10 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
  2 40  1  0  0  0  0
  6 40  1  0  0  0  0
M  END


  Mrv1652309122219032D          

 40 44  0  0  0  0            999 V2000
    1.0366   -2.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1106   -1.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4893   -1.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3150   -1.3159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8136   -0.3737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6352   -0.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1496    0.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9746    0.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3326    0.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4890   -0.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3107   -0.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6349   -1.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4392   -1.3159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6824   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1213   -2.7090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3644   -3.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8033   -4.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0465   -4.8904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1688   -3.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4119   -4.4692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2162   -4.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7774   -4.0481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5817   -4.2316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1428   -3.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8997   -2.8385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8249   -5.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -5.2036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2637   -5.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5069   -6.4131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4594   -5.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8983   -6.0459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7299   -3.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5342   -3.2597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4867   -2.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0479   -1.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0136   -1.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0876   -2.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3054   -1.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5621   -1.6099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8188   -1.2519    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
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 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
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 21 30  1  0  0  0  0
 30 31  1  0  0  0  0
 19 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 14 34  1  0  0  0  0
 34 35  1  0  0  0  0
 12 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 10 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
  2 40  1  0  0  0  0
  6 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0331070

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OCC1OC(OC2C(O)C(O)C(OC3CC4C(CC5C(CC4=C)OC(=O)C5=C)C3=C)OC2CO)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H38O13/c1-9-4-16-14(11(3)25(35)36-16)5-13-10(2)15(6-12(9)13)37-26-23(34)21(32)24(18(8-29)39-26)40-27-22(33)20(31)19(30)17(7-28)38-27/h12-24,26-34H,1-8H2

> <INCHI_KEY>
YGCRKWQOVGHSEX-UHFFFAOYSA-N

> <FORMULA>
C27H38O13

> <MOLECULAR_WEIGHT>
570.588

> <EXACT_MASS>
570.231241284

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
78

> <JCHEM_AVERAGE_POLARIZABILITY>
56.81375754315478

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5,8-trimethylidene-dodecahydroazuleno[6,5-b]furan-2-one

> <JCHEM_LOGP>
-1.7751808709999986

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.485750799848269

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.93949735918232

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810835652988272

> <JCHEM_POLAR_SURFACE_AREA>
204.82999999999998

> <JCHEM_REFRACTIVITY>
132.39050000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5,8-trimethylidene-octahydroazuleno[6,5-b]furan-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0       1.935  -4.661   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.073  -3.127   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.913  -2.114   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -0.588  -2.456   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       1.519  -0.698   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       3.052  -0.836   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.013   0.368   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.553   0.368   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.221   1.756   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.513  -0.836   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.047  -0.698   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.652  -2.114   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      10.153  -2.456   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      10.607  -3.928   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       9.560  -5.057   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      10.014  -6.528   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.966  -7.657   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       9.420  -9.129   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      11.515  -6.871   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      11.969  -8.343   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      13.470  -8.685   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      14.518  -7.556   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      16.019  -7.899   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      17.067  -6.770   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      16.613  -5.299   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      16.473  -9.371   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      17.974  -9.713   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      15.426 -10.500   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      15.880 -11.971   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      13.924 -10.157   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      12.877 -11.286   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      12.562  -5.742   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      14.064  -6.085   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      12.109  -4.271   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      13.156  -3.142   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       7.492  -3.127   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       7.630  -4.661   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       6.170  -2.337   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       4.783  -3.005   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       3.395  -2.337   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   40                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7   40                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   38                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   36                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   34                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   19                                                  
CONECT   17   16   18                                                       
CONECT   18   17                                                            
CONECT   19   16   20   32                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   30                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   26                                                  
CONECT   24   23   25                                                       
CONECT   25   24                                                            
CONECT   26   23   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   21   31                                                  
CONECT   31   30                                                            
CONECT   32   19   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   14   35                                                  
CONECT   35   34                                                            
CONECT   36   12   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   10   39                                                  
CONECT   39   38   40                                                       
CONECT   40   39    2    6                                                  
MASTER        0    0    0    0    0    0    0    0   40    0   88    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₃₈O₁₃

Average Mass

570.5880 Da

Monoisotopic Mass

570.23124 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

OCC1OC(OC2C(O)C(O)C(OC3CC4C(CC5C(CC4=C)OC(=O)C5=C)C3=C)OC2CO)C(O)C(O)C1O

InChI Identifier

InChI=1S/C27H38O13/c1-9-4-16-14(11(3)25(35)36-16)5-13-10(2)15(6-12(9)13)37-26-23(34)21(32)24(18(8-29)39-26)40-27-22(33)20(31)19(30)17(7-28)38-27/h12-24,26-34H,1-8H2

InChI Key

YGCRKWQOVGHSEX-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as guaianolides and derivatives. These are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Guaianolides and derivatives

Alternative Parents

Substituents

Guaianolide-skeleton
Terpene glycoside
Guaiane sesquiterpenoid
Sesquiterpenoid
Disaccharide
Glycosyl compound
O-glycosyl compound
Gamma butyrolactone
Oxane
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tetrahydrofuran
Secondary alcohol
Carboxylic acid ester
Lactone
Polyol
Carboxylic acid derivative
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Acetal
Organic oxide
Organic oxygen compound
Hydrocarbon derivative
Primary alcohol
Carbonyl group
Organooxygen 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

162922889

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5,8-trimethylidene-octahydroazuleno[6,5-b]furan-2-one (NP0331070)

MOL for NP0331070 (6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5,8-trimethylidene-octahydroazuleno[6,5-b]furan-2-one)

3D MOL for NP0331070 (6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5,8-trimethylidene-octahydroazuleno[6,5-b]furan-2-one)

3D SDF for NP0331070 (6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5,8-trimethylidene-octahydroazuleno[6,5-b]furan-2-one)

3D-SDF for NP0331070 (6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5,8-trimethylidene-octahydroazuleno[6,5-b]furan-2-one)

PDB for NP0331070 (6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5,8-trimethylidene-octahydroazuleno[6,5-b]furan-2-one)

3D PDB for NP0331070 (6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5,8-trimethylidene-octahydroazuleno[6,5-b]furan-2-one)

SMILES for NP0331070 (6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5,8-trimethylidene-octahydroazuleno[6,5-b]furan-2-one)

INCHI for NP0331070 (6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5,8-trimethylidene-octahydroazuleno[6,5-b]furan-2-one)

Structure for NP0331070 (6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5,8-trimethylidene-octahydroazuleno[6,5-b]furan-2-one)

3D Structure for NP0331070 (6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5,8-trimethylidene-octahydroazuleno[6,5-b]furan-2-one)