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Details

Stereochemistry ACHIRAL
Molecular Formula C11H12O4
Molecular Weight 208.2106
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Pyrenocine A

SMILES

COC1=CC(=O)OC(C)=C1C(=O)\C=C\C

InChI

InChIKey=VVYCRPVWBIEKIW-SNAWJCMRSA-N
InChI=1S/C11H12O4/c1-4-5-8(12)11-7(2)15-10(13)6-9(11)14-3/h4-6H,1-3H3/b5-4+

HIDE SMILES / InChI

Molecular Formula C11H12O4
Molecular Weight 208.2106
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:56:01 GMT 2025
Edited
by admin
on Mon Mar 31 19:56:01 GMT 2025
Record UNII
3M9PWU4VLX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Pyrenocine A
Common Name English
Pyrenocin A
Preferred Name English
4-Methoxy-6-methyl-5-[(2E)-1-oxo-2-buten-1-yl]-2H-pyran-2-one
Systematic Name English
2H-Pyran-2-one, 4-methoxy-6-methyl-5-[(2E)-1-oxo-2-buten-1-yl]-
Systematic Name English
Code System Code Type Description
FDA UNII
3M9PWU4VLX
Created by admin on Mon Mar 31 19:56:01 GMT 2025 , Edited by admin on Mon Mar 31 19:56:01 GMT 2025
PRIMARY
EPA CompTox
DTXSID801017472
Created by admin on Mon Mar 31 19:56:01 GMT 2025 , Edited by admin on Mon Mar 31 19:56:01 GMT 2025
PRIMARY
PUBCHEM
6312351
Created by admin on Mon Mar 31 19:56:01 GMT 2025 , Edited by admin on Mon Mar 31 19:56:01 GMT 2025
PRIMARY
CAS
76868-97-8
Created by admin on Mon Mar 31 19:56:01 GMT 2025 , Edited by admin on Mon Mar 31 19:56:01 GMT 2025
PRIMARY