U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C7H6O4
Molecular Weight 154.1201
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPATULIN

SMILES

O=C1OCC2=C1OCCC2=O

InChI

InChIKey=CGCAHEDRSBRAIM-UHFFFAOYSA-N
InChI=1S/C7H6O4/c8-5-1-2-10-6-4(5)3-11-7(6)9/h1-3H2

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Divergent synthesis of the co-isolated mycotoxins longianone, isopatulin, and (Z)-ascladiol via furan oxidation.
2009-08-21
Name Type Language
NSC-402276
Preferred Name English
ISOPATULIN
Common Name English
ISOCLAVACIN
Common Name English
NSC-407489
Code English
Code System Code Type Description
NSC
407489
Created by admin on Mon Mar 31 19:57:34 GMT 2025 , Edited by admin on Mon Mar 31 19:57:34 GMT 2025
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PUBCHEM
101239
Created by admin on Mon Mar 31 19:57:34 GMT 2025 , Edited by admin on Mon Mar 31 19:57:34 GMT 2025
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CAS
484-91-3
Created by admin on Mon Mar 31 19:57:34 GMT 2025 , Edited by admin on Mon Mar 31 19:57:34 GMT 2025
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EPA CompTox
DTXSID70197517
Created by admin on Mon Mar 31 19:57:34 GMT 2025 , Edited by admin on Mon Mar 31 19:57:34 GMT 2025
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FDA UNII
CKH162OZMV
Created by admin on Mon Mar 31 19:57:34 GMT 2025 , Edited by admin on Mon Mar 31 19:57:34 GMT 2025
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NSC
402276
Created by admin on Mon Mar 31 19:57:34 GMT 2025 , Edited by admin on Mon Mar 31 19:57:34 GMT 2025
PRIMARY
MESH
C552375
Created by admin on Mon Mar 31 19:57:34 GMT 2025 , Edited by admin on Mon Mar 31 19:57:34 GMT 2025
PRIMARY