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Details

Stereochemistry ACHIRAL
Molecular Formula C10H8O3
Molecular Weight 176.1687
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ERYTHROCENTAURIN

SMILES

O=CC1=C2CCOC(=O)C2=CC=C1

InChI

InChIKey=TUADBWMDDLWUME-UHFFFAOYSA-N
InChI=1S/C10H8O3/c11-6-7-2-1-3-9-8(7)4-5-13-10(9)12/h1-3,6H,4-5H2

HIDE SMILES / InChI

Molecular Formula C10H8O3
Molecular Weight 176.1687
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Isolation and structural elucidation of 5-formyl-2,3-dihydroisocoumarin from Centaurium erythraea aerial parts.
2003 Oct
[Studies on the chemical constituents in root of Gentiana macrophylla from Shaanxi].
2005 Oct
Phytochemical studies and antibacterial activity of Centaurium pulchellum Druce.
2006 Aug
Simultaneous determination of swertiamarin and its metabolites (5Z)-5-ethylidene-8-hydroxy-3,4,5,6,7,8-hexahydro-1H-pyrano[3,4-c]pyridin-1-one and erythrocentaurin in broth of Aspergillus niger by HPLC.
2008 Feb
[Studies on chemical constituents of Swertia mussotii].
2009 Apr
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 04:29:07 GMT 2023
Edited
by admin
on Sat Dec 16 04:29:07 GMT 2023
Record UNII
295RS6D94V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ERYTHROCENTAURIN
MI  
Common Name English
3,4-DIHYDRO-1-OXO-1H-2-BENZOPYRAN-5-CARBOXALDEHYDE
Systematic Name English
ERYTHROCENTAURIN [MI]
Common Name English
ISOCOUMARIN, 5-FORMYL-3,4-DIHYDRO-
Systematic Name English
1H-2-BENZOPYRAN-5-CARBOXALDEHYDE, 3,4-DIHYDRO-1-OXO-
Systematic Name English
ERYTHROCENTAURINE
Common Name English
Code System Code Type Description
MERCK INDEX
m5006
Created by admin on Sat Dec 16 04:29:07 GMT 2023 , Edited by admin on Sat Dec 16 04:29:07 GMT 2023
PRIMARY Merck Index
FDA UNII
295RS6D94V
Created by admin on Sat Dec 16 04:29:07 GMT 2023 , Edited by admin on Sat Dec 16 04:29:07 GMT 2023
PRIMARY
PUBCHEM
191120
Created by admin on Sat Dec 16 04:29:07 GMT 2023 , Edited by admin on Sat Dec 16 04:29:07 GMT 2023
PRIMARY
CAS
50276-98-7
Created by admin on Sat Dec 16 04:29:07 GMT 2023 , Edited by admin on Sat Dec 16 04:29:07 GMT 2023
PRIMARY
EPA CompTox
DTXSID30198282
Created by admin on Sat Dec 16 04:29:07 GMT 2023 , Edited by admin on Sat Dec 16 04:29:07 GMT 2023
PRIMARY