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Details

Stereochemistry ACHIRAL
Molecular Formula C11H6O3
Molecular Weight 186.1635
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANGELICIN

SMILES

O=C1OC2=C(C=CC3=C2C=CO3)C=C1

InChI

InChIKey=XDROKJSWHURZGO-UHFFFAOYSA-N
InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H

HIDE SMILES / InChI
Molecular Formula C11H6O3
Molecular Weight 186.1635
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:19:43 UTC 2023
Edited
by admin
on Fri Dec 15 17:19:43 UTC 2023
Record UNII
CZZ080D7BD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANGELICIN
Common Name English
2H-FURO(2,3-H)-1-BENZOPYRAN-2-ONE
Systematic Name English
ISOPSORALEN
HSDB  
Common Name English
ISOPSORALEN [HSDB]
Common Name English
NSC-404563
Code English
Code System Code Type Description
PUBCHEM
10658
Created by admin on Fri Dec 15 17:19:43 UTC 2023 , Edited by admin on Fri Dec 15 17:19:43 UTC 2023
PRIMARY
NSC
404563
Created by admin on Fri Dec 15 17:19:43 UTC 2023 , Edited by admin on Fri Dec 15 17:19:43 UTC 2023
PRIMARY
CAS
523-50-2
Created by admin on Fri Dec 15 17:19:43 UTC 2023 , Edited by admin on Fri Dec 15 17:19:43 UTC 2023
PRIMARY
CHEBI
28928
Created by admin on Fri Dec 15 17:19:43 UTC 2023 , Edited by admin on Fri Dec 15 17:19:43 UTC 2023
PRIMARY
EPA CompTox
DTXSID00200321
Created by admin on Fri Dec 15 17:19:43 UTC 2023 , Edited by admin on Fri Dec 15 17:19:43 UTC 2023
PRIMARY
MESH
C011659
Created by admin on Fri Dec 15 17:19:43 UTC 2023 , Edited by admin on Fri Dec 15 17:19:43 UTC 2023
PRIMARY
FDA UNII
CZZ080D7BD
Created by admin on Fri Dec 15 17:19:43 UTC 2023 , Edited by admin on Fri Dec 15 17:19:43 UTC 2023
PRIMARY
HSDB
3554
Created by admin on Fri Dec 15 17:19:43 UTC 2023 , Edited by admin on Fri Dec 15 17:19:43 UTC 2023
PRIMARY
WIKIPEDIA
ANGELICIN
Created by admin on Fri Dec 15 17:19:43 UTC 2023 , Edited by admin on Fri Dec 15 17:19:43 UTC 2023
PRIMARY
Related Record Type Details
CULLEN CORYLIFOLIUM FRUIT
PARENT -> CONSTITUENT ALWAYS PRESENT
ANGELICA ARCHANGELICA ROOT
PARENT -> CONSTITUENT ALWAYS PRESENT
NIH
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