NP-MRD: Showing NP-Card for Blumenol a (NP0044937)

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Record Information

Version

2.0

Created at

2022-03-10 18:51:26 UTC

Updated at

2022-03-10 22:18:41 UTC

NP-MRD ID

NP0044937

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Blumenol a

Description

Blumenol A, also known as vomifoliol, is formally classified as a cyclic ketone although it is biochemically a terpenoid, as it is biosynthesized via isoprene units. Vomifoliol is structurally related to abscisic acid (ABA) but lacks the 2,4-pentadiene side chain. Vomifoliol is a naturally occurring organic compound found in a number of plants, including cannabis (PMID: 6991645 ) And kidney beans (https://Doi.Org/10.1246/Cl.1973.245). Vomifoliol is a fruity tasting compound also found in common grape. It was first isolated from the leaves and stems of Dutch-grown hemp and identified as a cannabis constituent in 1976 (PMID: 6991645 ). In one particular study, Vomifoliol exhibited stomatal closure activity in plant epidermal strips (https://Doi.Org/10.1007/BF00385281).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 36 36  0  0  0  0  0  0  0  0999 V2000
   -0.4729   -2.5011   -0.5491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9828   -1.2324    0.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6842   -1.3515    1.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1924   -0.1423    1.7587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8008   -0.2276    2.8564 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0363    1.1801    1.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4222    1.2168   -0.1842 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4983    1.6069   -1.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4360    2.3975   -0.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6822    0.0203   -0.6349 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9574   -0.1740   -2.0104 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8057    0.2392   -0.5807 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5999   -0.3938    0.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0593   -0.0884    0.2040 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8680   -1.2445    0.7002 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4790    0.2707   -1.0673 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3806   -3.0349   -0.9561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0525   -3.1307    0.2810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2616   -2.3407   -1.3473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8749   -2.3164    1.6180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4661    1.8121    1.8974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0619    1.6569    1.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0865    1.5191   -2.2479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7400    2.6797   -1.0589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4005    0.9755   -1.0950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0922    2.6054   -1.2407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8673    3.2940    0.2579 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4905    2.0854    0.3505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5919   -0.9176   -2.1382 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2323    0.9712   -1.2784 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1757   -1.1161    0.9353 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2392    0.7688    0.8733 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8864   -0.8814    0.9468 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9367   -2.0256   -0.0836 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3863   -1.7011    1.5825 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3591   -0.4792   -1.6933 H   0  0  0  0  0  0  0  0  0  0  0  0
 15 14  1  0
 14 16  1  0
 14 13  1  0
 13 12  2  0
 12 10  1  0
 10 11  1  6
 10  2  1  0
  2  1  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  6
  7  9  1  0
  7 10  1  0
 15 33  1  0
 15 34  1  0
 15 35  1  0
 14 32  1  1
 16 36  1  0
 13 31  1  0
 12 30  1  0
 11 29  1  0
  1 17  1  0
  1 18  1  0
  1 19  1  0
  3 20  1  0
  6 21  1  0
  6 22  1  0
  8 23  1  0
  8 24  1  0
  8 25  1  0
  9 26  1  0
  9 27  1  0
  9 28  1  0
M  END

 
  Mrv1652303202019002D          
 
 16 16  0  0  1  0            999 V2000
   12.6878   -9.5531    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9656   -9.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6878  -10.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3988   -9.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3125  -10.0440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2547   -9.5531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6263   -8.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3703   -8.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9656  -10.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3201  -10.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1134   -9.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2547  -10.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8244   -9.1334    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5813  -10.8347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5390   -9.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8206   -8.4778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  6  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  2  0  0  0  0
  3 10  1  0  0  0  0
  4 11  2  0  0  0  0
  6 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  6  0  0  0
  9 12  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0044937

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H](O)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1

> <INCHI_KEY>
KPQMCAKZRXOZLB-KOIHBYQTSA-N

> <FORMULA>
C13H20O3

> <MOLECULAR_WEIGHT>
224.3

> <EXACT_MASS>
224.141244504

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
24.632846988257995

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(4S)-4-hydroxy-4-[(1E,3R)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one

> <ALOGPS_LOGP>
1.24

> <JCHEM_LOGP>
1.4189990350000001

> <ALOGPS_LOGS>
-1.97

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.318580056729672

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.40300283457503

> <JCHEM_PKA_STRONGEST_BASIC>
-2.6687152382363992

> <JCHEM_POLAR_SURFACE_AREA>
57.53

> <JCHEM_REFRACTIVITY>
64.9272

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.43e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(6S,9R)-vomifoliol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 20-MAR-20   NONE
TITLE     NULL                                                        
COMPND    MOLECULE:                                                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-MAR-20         0                                  
HETATM    1  C   UNK     0      23.684 -17.832   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      22.336 -17.063   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      23.684 -19.385   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      25.011 -17.056   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      24.850 -18.749   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      21.009 -17.832   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      21.703 -15.812   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      23.091 -15.806   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      22.336 -20.169   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      24.864 -20.148   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      26.345 -17.825   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      21.009 -19.385   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      27.672 -17.049   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      19.752 -20.225   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      29.006 -17.818   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      27.665 -15.825   0.000  0.00  0.00           O+0
CONECT    1    2    3    4    5                                             
CONECT    2    1    6    7    8                                             
CONECT    3    1    9   10                                                  
CONECT    4    1   11                                                       
CONECT    5    1                                                            
CONECT    6    2   12                                                       
CONECT    7    2                                                            
CONECT    8    2                                                            
CONECT    9    3   12                                                       
CONECT   10    3                                                            
CONECT   11    4   13                                                       
CONECT   12    6   14    9                                                  
CONECT   13   11   15   16                                                  
CONECT   14   12                                                            
CONECT   15   13                                                            
CONECT   16   13                                                            
MASTER        0    0    0    0    0    0    0    0   16    0   32    0
END

View in JSmol

Synonyms

Value	Source
(4S)-4-Hydroxy-4-[(1E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one	ChEBI
(6S,9R)-6-Hydroxy-3-oxo-alpha-ionol	ChEBI
Blumenol a	ChEBI
Vomifoliol	ChEBI
(6S,9R)-6-Hydroxy-3-oxo-a-ionol	Generator
(6S,9R)-6-Hydroxy-3-oxo-α-ionol	Generator

Chemical Formula

C₁₃H₂₀O₃

Average Mass

224.3000 Da

Monoisotopic Mass

224.14124 Da

IUPAC Name

(4S)-4-hydroxy-4-[(1E,3R)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one

Traditional Name

(6S,9R)-vomifoliol

CAS Registry Number

23526-45-6

SMILES

C[C@@H](O)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C

InChI Identifier

InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1

InChI Key

KPQMCAKZRXOZLB-KOIHBYQTSA-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
Albizia julibrissin	LOTUS Database	35616633
Annona glabra	LOTUS Database	35616633
Brucea javanica	LOTUS Database	35616633
Calanthe discolor	LOTUS Database	35616633
Calyptocarpus vialis	LOTUS Database	35616633
Cannabis sativa	NULL	Not Available
Carallia brachiata	LOTUS Database	35616633
Carpesium macrocephalum	LOTUS Database	35616633
Centaurea aspera	LOTUS Database	35616633
Chenopodium album	LOTUS Database	35616633
Conyza bonariensis	LOTUS Database	35616633
Crinum firmifolium	LOTUS Database	35616633
Crotalaria thebaica	LOTUS Database	35616633
Croton bonplandianus	LOTUS Database	35616633
Cynanchum bungei	LOTUS Database	35616633
Cynara cornigera	LOTUS Database	35616633
Dioscorea japonica	LOTUS Database	35616633
Dugaldia hoopesii	LOTUS Database	35616633
Echiochilon fruticosum	LOTUS Database	35616633
Equisetum ramosissimum	LOTUS Database	35616633
Eucalyptus globulus	LOTUS Database	35616633
Euchresta formosana	LOTUS Database	35616633
Euscaphis japonica	LOTUS Database	35616633
Geum japonicum	LOTUS Database	35616633
Goupia glabra	LOTUS Database	35616633
Helianthus annuus	LOTUS Database	35616633
Houttuynia cordata	LOTUS Database	35616633
Inula japonica	LOTUS Database	35616633
Lawsonia inermis	LOTUS Database	35616633
Macaranga tanarius	LOTUS Database	35616633
Macrococculus pomiferus	LOTUS Database	35616633
Magnolia stellata	LOTUS Database	35616633
Nageia nagi	LOTUS Database	35616633
Nelumbo nucifera	LOTUS Database	35616633
Neolitsea parvigemma	LOTUS Database	35616633
Nicotiana paniculata	LOTUS Database	35616633
Otanthus maritimus	LOTUS Database	35616633
Peperomia heyneana	LOTUS Database	35616633
Phaseolus vulgaris	LOTUS Database	35616633
Phyllosticta ampelicida	LOTUS Database	35616633
Physalis peruviana	LOTUS Database	35616633
Piper kadsura	LOTUS Database	35616633
Prunus padus	LOTUS Database	35616633
Pterocaulon polystachyum	LOTUS Database	35616633
Pyracantha coccinea	LOTUS Database	35616633
Salvia chinensis	LOTUS Database	35616633
Salvia virgata	LOTUS Database	35616633
Sesbania drummondii	LOTUS Database	35616633
Sida acuta	LOTUS Database	35616633
Solanum lyratum	LOTUS Database	35616633
Stachys byzantina	LOTUS Database	35616633
Taxus mairei	LOTUS Database	35616633
Thuja plicata	LOTUS Database	35616633
Trichosanthes kirilowii	LOTUS Database	35616633
Tridax procumbens	LOTUS Database	35616633
Typha capensis	LOTUS Database	35616633
Urolepis hecatantha	LOTUS Database	35616633
Viscum album	LOTUS Database	35616633
Vitis vinifera	LOTUS Database	35616633
Xanthium strumarium	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Sesquiterpenoids

Alternative Parents

Substituents

Sesquiterpenoid
Cyclofarsesane sesquiterpenoid
Megastigmane sesquiterpenoid
Ionone derivative
Cyclohexenone
Tertiary alcohol
Ketone
Secondary alcohol
Cyclic ketone
Alcohol
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Organic oxygen compound
Carbonyl group
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

(6S)-vomifoliol (CHEBI:49164 )

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	1.24	ALOGPS
logP	1.42	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Acidic)	13.4	ChemAxon
pKa (Strongest Basic)	-2.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	57.53 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	64.93 m³·mol⁻¹	ChemAxon
Polarizability	24.63 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

C00029834

Chemspider ID

Not Available

KEGG Compound ID

C01760

BioCyc ID

--6-HYDROXY-3-OXO-ALPHA-IONOL

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5280462

PDB ID

Not Available

ChEBI ID

49164

Good Scents ID

Not Available

References

General References

Ren Y, Shen L, Zhang DW, Dai SJ: Two new sesquiterpenoids from Solanum lyratum with cytotoxic activities. Chem Pharm Bull (Tokyo). 2009 Apr;57(4):408-10. doi: 10.1248/cpb.57.408. [PubMed:19336938 ]
Kato-Noguchi H, Tamura K, Sasaki H, Suenaga K: Identification of two phytotoxins, blumenol A and grasshopper ketone, in the allelopathic Japanese rice variety Awaakamai. J Plant Physiol. 2012 May 1;169(7):682-5. doi: 10.1016/j.jplph.2012.01.009. Epub 2012 Feb 24. [PubMed:22364828 ]

Showing NP-Card for Blumenol a (NP0044937)

MOL for NP0044937 (Blumenol a)

3D MOL for NP0044937 (Blumenol a)

3D SDF for NP0044937 (Blumenol a)

3D-SDF for NP0044937 (Blumenol a)

PDB for NP0044937 (Blumenol a)

3D PDB for NP0044937 (Blumenol a)

SMILES for NP0044937 (Blumenol a)

INCHI for NP0044937 (Blumenol a)

Structure for NP0044937 (Blumenol a)

3D Structure for NP0044937 (Blumenol a)