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Details

Stereochemistry ACHIRAL
Molecular Formula C18H14O8
Molecular Weight 358.299
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Parellic acid

SMILES

COC1=CC(C(O)=O)=C2OC3=C(C=O)C(O)=CC(C)=C3C(=O)OC2=C1C

InChI

InChIKey=FUCWJKJZOHOLEO-UHFFFAOYSA-N
InChI=1S/C18H14O8/c1-7-4-11(20)10(6-19)15-13(7)18(23)26-14-8(2)12(24-3)5-9(17(21)22)16(14)25-15/h4-6,20H,1-3H3,(H,21,22)

HIDE SMILES / InChI

Molecular Formula C18H14O8
Molecular Weight 358.299
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 12:48:47 GMT 2023
Edited
by admin
on Sat Dec 16 12:48:47 GMT 2023
Record UNII
7SWA85EH4H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Parellic acid
Common Name English
11H-Dibenzo[b,e][1,4]dioxepin-6-carboxylic acid, 4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-
Systematic Name English
15-formyl-14-hydroxy-6-methoxy-7,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene-4-carboxylic acid
Systematic Name English
4-Formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-6-carboxylic acid
Systematic Name English
NSC-92186
Code English
Psoromic acid
Common Name English
Code System Code Type Description
PUBCHEM
23725
Created by admin on Sat Dec 16 12:48:47 GMT 2023 , Edited by admin on Sat Dec 16 12:48:47 GMT 2023
PRIMARY
CAS
7299-11-8
Created by admin on Sat Dec 16 12:48:47 GMT 2023 , Edited by admin on Sat Dec 16 12:48:47 GMT 2023
PRIMARY
NSC
92186
Created by admin on Sat Dec 16 12:48:47 GMT 2023 , Edited by admin on Sat Dec 16 12:48:47 GMT 2023
PRIMARY
FDA UNII
7SWA85EH4H
Created by admin on Sat Dec 16 12:48:47 GMT 2023 , Edited by admin on Sat Dec 16 12:48:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID70223264
Created by admin on Sat Dec 16 12:48:47 GMT 2023 , Edited by admin on Sat Dec 16 12:48:47 GMT 2023
PRIMARY