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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H12O8
Molecular Weight 356.2831
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Xerocomic acid

SMILES

OC(=O)C(=C1\OC(=O)C(=C1O)C2=CC(O)=C(O)C=C2)\C3=CC=C(O)C=C3

InChI

InChIKey=LJVSOLKVNIGBDE-JQIJEIRASA-N
InChI=1S/C18H12O8/c19-10-4-1-8(2-5-10)14(17(23)24)16-15(22)13(18(25)26-16)9-3-6-11(20)12(21)7-9/h1-7,19-22H,(H,23,24)/b16-14+

HIDE SMILES / InChI

Molecular Formula C18H12O8
Molecular Weight 356.2831
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 Wed Apr 02 08:02:50 GMT 2025
Edited
by admin
on Wed Apr 02 08:02:50 GMT 2025
Record UNII
A8AF7UK664
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Xerocomic acid
Common Name English
(?E)-?-[4-(3,4-Dihydroxyphenyl)-3-hydroxy-5-oxo-2(5H)-furanylidene]-4-hydroxybenzeneacetic acid
Preferred Name English
2-(4-(3,4-BIS(OXIDANYL)PHENYL)-3-OXIDANYL-5-OXIDANYLIDENE-FURAN-2-YLIDENE)-2-(4-HYDROXYPHENYL)ETHANOIC ACID
Systematic Name English
Benzeneacetic acid, ?-[4-(3,4-dihydroxyphenyl)-3-hydroxy-5-oxo-2(5H)-furanylidene]-4-hydroxy-, (?E)-
Systematic Name English
Code System Code Type Description
FDA UNII
A8AF7UK664
Created by admin on Wed Apr 02 08:02:50 GMT 2025 , Edited by admin on Wed Apr 02 08:02:50 GMT 2025
PRIMARY
EPA CompTox
DTXSID601117270
Created by admin on Wed Apr 02 08:02:50 GMT 2025 , Edited by admin on Wed Apr 02 08:02:50 GMT 2025
PRIMARY
CAS
25287-88-1
Created by admin on Wed Apr 02 08:02:50 GMT 2025 , Edited by admin on Wed Apr 02 08:02:50 GMT 2025
PRIMARY
PUBCHEM
54730624
Created by admin on Wed Apr 02 08:02:50 GMT 2025 , Edited by admin on Wed Apr 02 08:02:50 GMT 2025
PRIMARY
WIKIPEDIA
Xerocomic acid
Created by admin on Wed Apr 02 08:02:50 GMT 2025 , Edited by admin on Wed Apr 02 08:02:50 GMT 2025
PRIMARY