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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H11O6.Cl
Molecular Weight 322.697
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AURANTINIDIN

SMILES

[Cl-].OC1=CC=C(C=C1)C2=C(O)C=C3C(C=C(O)C(O)=C3O)=[O+]2

InChI

InChIKey=ISJQFQSYBIWCHP-UHFFFAOYSA-N
InChI=1S/C15H10O6.ClH/c16-8-3-1-7(2-4-8)15-11(18)5-9-12(21-15)6-10(17)14(20)13(9)19;/h1-6H,(H4-,16,17,18,19,20);1H

HIDE SMILES / InChI

Molecular Formula C15H11O6
Molecular Weight 287.2442
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Cl
Molecular Weight 35.453
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:59:41 GMT 2023
Edited
by admin
on Sat Dec 16 16:59:41 GMT 2023
Record UNII
D53KRD9FB8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AURANTINIDIN
Common Name English
6-HYDROXYPELARGONIDIN CHLORIDE
Systematic Name English
1-BENZOPYRYLIUM, 3,5,6,7-TETRAHYDROXY-2-(4-HYDROXYPHENYL)-, CHLORIDE
Systematic Name English
1-BENZOPYRYLIUM, 3,5,6,7-TETRAHYDROXY-2-(4-HYDROXYPHENYL)-, CHLORIDE (1:1)
Systematic Name English
FLAVYLIUM, 3,4,5,6,7-PENTAHYDROXY-, CHLORIDE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40331603
Created by admin on Sat Dec 16 16:59:41 GMT 2023 , Edited by admin on Sat Dec 16 16:59:41 GMT 2023
PRIMARY
WIKIPEDIA
Aurantinidin
Created by admin on Sat Dec 16 16:59:41 GMT 2023 , Edited by admin on Sat Dec 16 16:59:41 GMT 2023
PRIMARY
CAS
25041-66-1
Created by admin on Sat Dec 16 16:59:41 GMT 2023 , Edited by admin on Sat Dec 16 16:59:41 GMT 2023
PRIMARY
FDA UNII
D53KRD9FB8
Created by admin on Sat Dec 16 16:59:41 GMT 2023 , Edited by admin on Sat Dec 16 16:59:41 GMT 2023
PRIMARY
PUBCHEM
441648
Created by admin on Sat Dec 16 16:59:41 GMT 2023 , Edited by admin on Sat Dec 16 16:59:41 GMT 2023
PRIMARY