NP-MRD: Showing NP-Card for 5-hydroxy-4-[(2e,4e)-6-[2-(hydroxymethyl)-1,7-dimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.0²,⁴]decan-8-yl]-4-methylhepta-2,4-dienoyl]-1,2-dihydropyrrol-3-one (NP0220229)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-05 21:28:54 UTC

Updated at

2022-09-05 21:28:54 UTC

NP-MRD ID

NP0220229

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5-hydroxy-4-[(2e,4e)-6-[2-(hydroxymethyl)-1,7-dimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.0²,⁴]decan-8-yl]-4-methylhepta-2,4-dienoyl]-1,2-dihydropyrrol-3-one

Description

5-Hydroxy-4-[(2E,4E)-6-[2-(hydroxymethyl)-1,7-dimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.0²,⁴]Decan-8-yl]-4-methylhepta-2,4-dienoyl]-2,3-dihydro-1H-pyrrol-3-one belongs to the class of organic compounds known as 1,4-dioxepanes. These are dioxepanes with the two ring oxygen atoms at position 1 and 4, respectively. 5-hydroxy-4-[(2e,4e)-6-[2-(hydroxymethyl)-1,7-dimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.0²,⁴]decan-8-yl]-4-methylhepta-2,4-dienoyl]-1,2-dihydropyrrol-3-one is found in Streptomyces flaveolus and Streptomyces tirandamycinicus. Based on a literature review very few articles have been published on 5-hydroxy-4-[(2E,4E)-6-[2-(hydroxymethyl)-1,7-dimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.0²,⁴]Decan-8-yl]-4-methylhepta-2,4-dienoyl]-2,3-dihydro-1H-pyrrol-3-one.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309052223282D          

 31 34  0  0  0  0            999 V2000
    6.8673    1.2735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6714    0.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2675   -0.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0716   -0.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6677   -1.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4597   -1.2390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4718   -2.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0050   -2.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8277   -2.8396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5711   -3.6026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697   -3.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7083   -2.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0067   -2.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8795    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2834    0.8114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4793    1.6128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4914    0.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9748    1.2236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1547    1.3132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9237    2.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7153    0.3539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7585   -0.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9384   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -1.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4218   -0.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7564    0.4642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5114    0.7967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0833    1.5019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2585    1.4837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4018   -0.2398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1252   -0.6364    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
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  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
  7 12  1  0  0  0  0
 12 13  2  0  0  0  0
  2 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 27  1  0  0  0  0
 19 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 22 30  1  0  0  0  0
 17 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END


  Mrv1652309052223282D          

 31 34  0  0  0  0            999 V2000
    6.8673    1.2735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6714    0.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2675   -0.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0716   -0.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6677   -1.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4597   -1.2390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4718   -2.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0050   -2.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8277   -2.8396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5711   -3.6026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697   -3.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7083   -2.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0067   -2.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8795    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2834    0.8114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4793    1.6128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4914    0.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9748    1.2236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1547    1.3132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9237    2.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7153    0.3539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7585   -0.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9384   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -1.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4218   -0.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7564    0.4642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5114    0.7967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0833    1.5019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2585    1.4837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4018   -0.2398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1252   -0.6364    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
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  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
  7 12  1  0  0  0  0
 12 13  2  0  0  0  0
  2 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 27  1  0  0  0  0
 19 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 22 30  1  0  0  0  0
 17 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0220229

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(\C=C(/C)\C=C\C(=O)C1=C(O)NCC1=O)C1OC2(C)OC(C1C)C(=O)C1OC21CO

> <INCHI_IDENTIFIER>
InChI=1S/C22H27NO8/c1-10(5-6-13(25)15-14(26)8-23-20(15)28)7-11(2)17-12(3)18-16(27)19-22(9-24,31-19)21(4,29-17)30-18/h5-7,11-12,17-19,23-24,28H,8-9H2,1-4H3/b6-5+,10-7+

> <INCHI_KEY>
UNOPAVUMZBJPHH-WEYXYWBQSA-N

> <FORMULA>
C22H27NO8

> <MOLECULAR_WEIGHT>
433.457

> <EXACT_MASS>
433.173666833

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
58

> <JCHEM_AVERAGE_POLARIZABILITY>
43.61940537821688

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5-hydroxy-4-[(2E,4E)-6-[2-(hydroxymethyl)-1,7-dimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.0^{2,4}]decan-8-yl]-4-methylhepta-2,4-dienoyl]-2,3-dihydro-1H-pyrrol-3-one

> <JCHEM_LOGP>
1.855607814666666

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.166146356748426

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.242486503471155

> <JCHEM_PKA_STRONGEST_BASIC>
-3.192735176191995

> <JCHEM_POLAR_SURFACE_AREA>
134.69

> <JCHEM_REFRACTIVITY>
119.5511

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
5-hydroxy-4-[(2E,4E)-6-[2-(hydroxymethyl)-1,7-dimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.0^{2,4}]decan-8-yl]-4-methylhepta-2,4-dienoyl]-1,2-dihydropyrrol-3-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0      12.819   2.377   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      12.453   0.881   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      13.566  -0.183   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      13.200  -1.679   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      14.313  -2.744   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      15.791  -2.313   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      13.947  -4.240   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      14.943  -5.415   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      16.478  -5.301   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0      14.133  -6.725   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      12.637  -6.359   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      12.522  -4.823   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      11.212  -4.013   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      10.975   0.450   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.862   1.515   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      10.228   3.011   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.384   1.083   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       7.420   2.284   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       5.889   2.451   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.458   3.930   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       6.935   0.661   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       7.016  -1.412   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.485  -1.245   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       4.745  -2.595   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       4.521  -0.044   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       3.279   0.867   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       4.688   1.487   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       3.889   2.804   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       2.349   2.770   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       8.217  -0.448   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       9.567  -1.188   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   14                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8   12                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11    7   13                                                  
CONECT   13   12                                                            
CONECT   14    2   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   30                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   21   27                                             
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23   30                                                  
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   27                                                  
CONECT   26   25   27                                                       
CONECT   27   26   25   19   28                                             
CONECT   28   27   29                                                       
CONECT   29   28                                                            
CONECT   30   22   17   31                                                  
CONECT   31   30                                                            
MASTER        0    0    0    0    0    0    0    0   31    0   68    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₂H₂₇NO₈

Average Mass

433.4570 Da

Monoisotopic Mass

433.17367 Da

IUPAC Name

5-hydroxy-4-[(2E,4E)-6-[2-(hydroxymethyl)-1,7-dimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.0^{2,4}]decan-8-yl]-4-methylhepta-2,4-dienoyl]-2,3-dihydro-1H-pyrrol-3-one

Traditional Name

5-hydroxy-4-[(2E,4E)-6-[2-(hydroxymethyl)-1,7-dimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.0^{2,4}]decan-8-yl]-4-methylhepta-2,4-dienoyl]-1,2-dihydropyrrol-3-one

CAS Registry Number

Not Available

SMILES

CC(\C=C(/C)\C=C\C(=O)C1=C(O)NCC1=O)C1OC2(C)OC(C1C)C(=O)C1OC21CO

InChI Identifier

InChI=1S/C22H27NO8/c1-10(5-6-13(25)15-14(26)8-23-20(15)28)7-11(2)17-12(3)18-16(27)19-22(9-24,31-19)21(4,29-17)30-18/h5-7,11-12,17-19,23-24,28H,8-9H2,1-4H3/b6-5+,10-7+

InChI Key

UNOPAVUMZBJPHH-WEYXYWBQSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Streptomyces flaveolus	LOTUS Database	35616633
Streptomyces tirandamycinicus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1,4-dioxepanes. These are dioxepanes with the two ring oxygen atoms at position 1 and 4, respectively.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Dioxepanes

Sub Class

1,4-dioxepanes

Direct Parent

1,4-dioxepanes

Alternative Parents

Substituents

Ketal
1,4-dioxepane
Oxane
Meta-dioxane
Vinylogous amide
Vinylogous acid
Alpha,beta-unsaturated ketone
Pyrroline
Enone
Acryloyl-group
Cyclic ketone
Ketone
Ketene acetal or derivatives
Oxacycle
Azacycle
Secondary amine
Ether
Oxirane
Secondary aliphatic amine
Dialkyl ether
Alkanolamine
Acetal
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Organonitrogen compound
Carbonyl group
Amine
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
logP	1.86	ChemAxon
pKa (Strongest Acidic)	3.24	ChemAxon
pKa (Strongest Basic)	-3.2	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	134.69 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	119.55 m³·mol⁻¹	ChemAxon
Polarizability	43.62 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

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

4952933

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6450323

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 5-hydroxy-4-[(2e,4e)-6-[2-(hydroxymethyl)-1,7-dimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.0²,⁴]decan-8-yl]-4-methylhepta-2,4-dienoyl]-1,2-dihydropyrrol-3-one (NP0220229)

MOL for NP0220229 (5-hydroxy-4-[(2e,4e)-6-[2-(hydroxymethyl)-1,7-dimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.0²,⁴]decan-8-yl]-4-methylhepta-2,4-dienoyl]-1,2-dihydropyrrol-3-one)

3D MOL for NP0220229 (5-hydroxy-4-[(2e,4e)-6-[2-(hydroxymethyl)-1,7-dimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.0²,⁴]decan-8-yl]-4-methylhepta-2,4-dienoyl]-1,2-dihydropyrrol-3-one)

3D SDF for NP0220229 (5-hydroxy-4-[(2e,4e)-6-[2-(hydroxymethyl)-1,7-dimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.0²,⁴]decan-8-yl]-4-methylhepta-2,4-dienoyl]-1,2-dihydropyrrol-3-one)

3D-SDF for NP0220229 (5-hydroxy-4-[(2e,4e)-6-[2-(hydroxymethyl)-1,7-dimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.0²,⁴]decan-8-yl]-4-methylhepta-2,4-dienoyl]-1,2-dihydropyrrol-3-one)

PDB for NP0220229 (5-hydroxy-4-[(2e,4e)-6-[2-(hydroxymethyl)-1,7-dimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.0²,⁴]decan-8-yl]-4-methylhepta-2,4-dienoyl]-1,2-dihydropyrrol-3-one)

3D PDB for NP0220229 (5-hydroxy-4-[(2e,4e)-6-[2-(hydroxymethyl)-1,7-dimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.0²,⁴]decan-8-yl]-4-methylhepta-2,4-dienoyl]-1,2-dihydropyrrol-3-one)

SMILES for NP0220229 (5-hydroxy-4-[(2e,4e)-6-[2-(hydroxymethyl)-1,7-dimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.0²,⁴]decan-8-yl]-4-methylhepta-2,4-dienoyl]-1,2-dihydropyrrol-3-one)

INCHI for NP0220229 (5-hydroxy-4-[(2e,4e)-6-[2-(hydroxymethyl)-1,7-dimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.0²,⁴]decan-8-yl]-4-methylhepta-2,4-dienoyl]-1,2-dihydropyrrol-3-one)

Structure for NP0220229 (5-hydroxy-4-[(2e,4e)-6-[2-(hydroxymethyl)-1,7-dimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.0²,⁴]decan-8-yl]-4-methylhepta-2,4-dienoyl]-1,2-dihydropyrrol-3-one)

3D Structure for NP0220229 (5-hydroxy-4-[(2e,4e)-6-[2-(hydroxymethyl)-1,7-dimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.0²,⁴]decan-8-yl]-4-methylhepta-2,4-dienoyl]-1,2-dihydropyrrol-3-one)