NP-MRD: Showing NP-Card for Abieta-8(14),13(15)-diene (NP0083852)

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Record Information

Version

2.0

Created at

2022-04-29 04:45:59 UTC

Updated at

2022-04-29 04:45:59 UTC

NP-MRD ID

NP0083852

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Abieta-8(14),13(15)-diene

Description

Neoabietadiene belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Thus, neoabietadiene is considered to be an isoprenoid. Abieta-8(14),13(15)-diene is found in Sitka spruce, Pinus mugo subsp. Mugo and Pinus taeda. Abieta-8(14),13(15)-diene was first documented in 2006 (PMID: 16497345). Based on a literature review very few articles have been published on neoabietadiene (PMID: 21518766).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 52 54  0  0  0  0  0  0  0  0999 V2000
    5.0772   -1.4034   -0.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5349   -0.0665   -0.4592 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4341    0.9552   -1.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2819    0.2038   -0.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -0.7987    0.3242 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0620   -0.7185    0.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3032   -1.8204    0.8775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1297   -1.4888    1.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6584   -0.6870   -0.0230 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1317   -0.6680    0.0020 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6292   -1.8554   -0.8452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7003   -0.9672    1.4009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8063    0.5697   -0.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0200    1.5262   -1.2587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5713    1.2236   -1.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9818    0.6423   -0.1622 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1726    1.5913    0.9445 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4889    0.4447   -0.4131 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3022    1.6558    0.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7075    1.5360   -0.5387 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2622   -1.5262    0.9560 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3941   -2.2259   -0.4289 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0472   -1.5978   -0.6370 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7923    0.6292   -2.0469 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3773    1.0076   -0.4109 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0132    1.9609   -1.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8700   -1.6533    0.8191 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8190   -2.1516    1.8154 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3797   -2.6930    0.1735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2860   -0.9901    2.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6757   -2.4779    1.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3011   -1.2659   -0.9111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5849   -1.5720   -1.3553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7374   -2.7619   -0.2573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9076   -2.0694   -1.6645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8128   -0.8080    1.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3702   -0.2539    2.1449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5681   -1.9984    1.6928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7186    0.2825   -1.0744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2828    1.1437    0.3909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4380    1.6607   -2.3035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0717    2.5791   -0.8438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0442    2.1410   -1.7524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4858    0.4498   -2.2433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9279    2.6262    0.5600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1646    1.6734    1.3774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4789    1.3436    1.8010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6971    0.3325   -1.5112 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8945    2.6010   -0.3663 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4227    1.6542    1.1353 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7718    1.8090   -1.5909 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3329    2.2762    0.0416 H   0  0  0  0  0  0  0  0  0  0  0  0
 18 19  1  0
 19 20  1  0
 20  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  6
 10 12  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  1
  4  2  2  3
  2  1  1  0
  2  3  1  0
  6 18  1  0
 16  9  1  0
 16 18  1  0
 18 48  1  6
 19 49  1  0
 19 50  1  0
 20 51  1  0
 20 52  1  0
  5 27  1  0
  7 28  1  0
  7 29  1  0
  8 30  1  0
  8 31  1  0
  9 32  1  6
 11 33  1  0
 11 34  1  0
 11 35  1  0
 12 36  1  0
 12 37  1  0
 12 38  1  0
 13 39  1  0
 13 40  1  0
 14 41  1  0
 14 42  1  0
 15 43  1  0
 15 44  1  0
 17 45  1  0
 17 46  1  0
 17 47  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  3 24  1  0
  3 25  1  0
  3 26  1  0
M  END


  Mrv1652304292206462D          

 22 24  0  0  1  0            999 V2000
    2.5886    0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6701    0.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -0.1105    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8579    0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9204   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9204   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0954   -0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0954   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9829   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3954   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3954   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  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
  9 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
  8 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  2 19  1  0  0  0  0
 10 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0083852

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@]12CCC(C=C1CC[C@@]1([H])C(C)(C)CCC[C@]21C)=C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h13,17-18H,6-12H2,1-5H3/t17-,18-,20+/m0/s1

> <INCHI_KEY>
MRRHSEMHYVQUFK-CMKODMSKSA-N

> <FORMULA>
C20H32

> <MOLECULAR_WEIGHT>
272.476

> <EXACT_MASS>
272.25040103

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
52

> <JCHEM_AVERAGE_POLARIZABILITY>
34.8948369392901

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4aS,4bS,10aS)-1,1,4a-trimethyl-7-(propan-2-ylidene)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene

> <ALOGPS_LOGP>
6.00

> <JCHEM_LOGP>
5.717214636666666

> <ALOGPS_LOGS>
-5.04

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
89.23039999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.48e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
neoabietadiene

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 29-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-APR-22         0                                  
HETATM    1  C   UNK     0       4.832   1.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.565  -0.206   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.118   0.320   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.105  -0.206   0.000  0.00  0.00           C+0
HETATM    5  H   UNK     0       5.335   1.127   0.000  0.00  0.00           H+0
HETATM    6  C   UNK     0       6.875   1.127   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.415   1.127   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.185  -0.206   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      10.725  -0.206   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      11.495  -1.540   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.725  -2.874   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.185  -2.874   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.415  -1.540   0.000  0.00  0.00           C+0
HETATM   14  H   UNK     0       7.645  -0.206   0.000  0.00  0.00           H+0
HETATM   15  C   UNK     0       6.875  -1.540   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.645  -2.874   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.105  -2.874   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.565  -2.874   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.795  -1.540   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      13.035  -1.540   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      13.805  -0.206   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      13.805  -2.874   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4   19                                             
CONECT    3    2                                                            
CONECT    4    2    5    6   15                                             
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   13                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   20                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12    8   14   15                                             
CONECT   14   13                                                            
CONECT   15   13    4   16   17                                             
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18    2                                                       
CONECT   20   10   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   48    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₃₂

Average Mass

272.4760 Da

Monoisotopic Mass

272.25040 Da

IUPAC Name

(4aS,4bS,10aS)-1,1,4a-trimethyl-7-(propan-2-ylidene)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene

Traditional Name

neoabietadiene

CAS Registry Number

Not Available

SMILES

[H][C@]12CCC(C=C1CC[C@@]1([H])C(C)(C)CCC[C@]21C)=C(C)C

InChI Identifier

InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h13,17-18H,6-12H2,1-5H3/t17-,18-,20+/m0/s1

InChI Key

MRRHSEMHYVQUFK-CMKODMSKSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Picea sitchensis	-	KNApSAcK
Pinus mugo subsp. Mugo	Plant	KNApSAcK
Pinus taeda	Plant	KNApSAcK

Chemical Taxonomy

Description

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
Abietane diterpenoid
Phenanthrene
Hydrophenanthrene
Branched unsaturated hydrocarbon
Polycyclic hydrocarbon
Cyclic olefin
Unsaturated aliphatic hydrocarbon
Unsaturated hydrocarbon
Olefin
Hydrocarbon
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

abietadiene (CHEBI:29651 )
Abietane diterpenoids (C11880 )
Abietanes (C11880 )
Abietane diterpenoids (LMPR0104050003 )

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	6	ALOGPS
logP	5.72	ChemAxon
logS	-5	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	89.23 m³·mol⁻¹	ChemAxon
Polarizability	34.89 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	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

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

443472

PDB ID

Not Available

ChEBI ID

29651

Good Scents ID

Not Available

References

General References

Keeling CI, Madilao LL, Zerbe P, Dullat HK, Bohlmann J: The primary diterpene synthase products of Picea abies levopimaradiene/abietadiene synthase (PaLAS) are epimers of a thermally unstable diterpenol. J Biol Chem. 2011 Jun 17;286(24):21145-53. doi: 10.1074/jbc.M111.245951. Epub 2011 Apr 25. [PubMed:21518766 ]
Ro DK, Bohlmann J: Diterpene resin acid biosynthesis in loblolly pine (Pinus taeda): functional characterization of abietadiene/levopimaradiene synthase (PtTPS-LAS) cDNA and subcellular targeting of PtTPS-LAS and abietadienol/abietadienal oxidase (PtAO, CYP720B1). Phytochemistry. 2006 Aug;67(15):1572-8. doi: 10.1016/j.phytochem.2006.01.011. Epub 2006 Feb 23. [PubMed:16497345 ]

Showing NP-Card for Abieta-8(14),13(15)-diene (NP0083852)

MOL for NP0083852 (Abieta-8(14),13(15)-diene)

3D MOL for NP0083852 (Abieta-8(14),13(15)-diene)

3D SDF for NP0083852 (Abieta-8(14),13(15)-diene)

3D-SDF for NP0083852 (Abieta-8(14),13(15)-diene)

PDB for NP0083852 (Abieta-8(14),13(15)-diene)

3D PDB for NP0083852 (Abieta-8(14),13(15)-diene)

SMILES for NP0083852 (Abieta-8(14),13(15)-diene)

INCHI for NP0083852 (Abieta-8(14),13(15)-diene)

Structure for NP0083852 (Abieta-8(14),13(15)-diene)

3D Structure for NP0083852 (Abieta-8(14),13(15)-diene)