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Details

Stereochemistry ACHIRAL
Molecular Formula C16H14O8
Molecular Weight 334.2776
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BARCELONEIC ACID B

SMILES

COC1=CC(C(O)=O)=C(OC2=C(C(O)=O)C(O)=CC(C)=C2)C(O)=C1

InChI

InChIKey=BMKJMWKTRHWAPN-UHFFFAOYSA-N
InChI=1S/C16H14O8/c1-7-3-10(17)13(16(21)22)12(4-7)24-14-9(15(19)20)5-8(23-2)6-11(14)18/h3-6,17-18H,1-2H3,(H,19,20)(H,21,22)

HIDE SMILES / InChI

Molecular Formula C16H14O8
Molecular Weight 334.2776
Charge 0
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 17:04:04 GMT 2023
Edited
by admin
on Sat Dec 16 17:04:04 GMT 2023
Record UNII
Y5F92XBQ7Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BARCELONEIC ACID B
Common Name English
2-(2-CARBOXY-3-HYDROXY-5-METHYLPHENOXY)-3-HYDROXY-5-METHOXYBENZOIC ACID
Systematic Name English
Benzoic acid, 2-(2-carboxy-3-hydroxy-5-methylphenoxy)-3-hydroxy-5-methoxy-
Systematic Name English
Code System Code Type Description
CAS
167875-41-4
Created by admin on Sat Dec 16 17:04:04 GMT 2023 , Edited by admin on Sat Dec 16 17:04:04 GMT 2023
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EPA CompTox
DTXSID40439416
Created by admin on Sat Dec 16 17:04:04 GMT 2023 , Edited by admin on Sat Dec 16 17:04:04 GMT 2023
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PUBCHEM
10404622
Created by admin on Sat Dec 16 17:04:04 GMT 2023 , Edited by admin on Sat Dec 16 17:04:04 GMT 2023
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WIKIPEDIA
Barceloneic acid B
Created by admin on Sat Dec 16 17:04:04 GMT 2023 , Edited by admin on Sat Dec 16 17:04:04 GMT 2023
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FDA UNII
Y5F92XBQ7Y
Created by admin on Sat Dec 16 17:04:04 GMT 2023 , Edited by admin on Sat Dec 16 17:04:04 GMT 2023
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