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Details

Stereochemistry ACHIRAL
Molecular Formula C17H14N2O5
Molecular Weight 326.3035
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4'-Methylangelicin-thymine-3,4-photocylcloadduct

SMILES

CC1=COC2=C1C3=C(C=C2)C4C5NC(=O)NC(=O)C5(C)C4C(=O)O3

InChI

InChIKey=OSHACCFKKXSZHP-UHFFFAOYSA-N
InChI=1S/C17H14N2O5/c1-6-5-23-8-4-3-7-10-11(14(20)24-12(7)9(6)8)17(2)13(10)18-16(22)19-15(17)21/h3-5,10-11,13H,1-2H3,(H2,18,19,21,22)

HIDE SMILES / InChI

Molecular Formula C17H14N2O5
Molecular Weight 326.3035
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:54:13 GMT 2025
Edited
by admin
on Mon Mar 31 22:54:13 GMT 2025
Record UNII
VQJ3H9S9TR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5H-Furo[2??,3??:7?,8?][1]benzopyrano[3?,4?:3,4]cyclobuta[1,2-d]pyrimidine-5,6,8(5bH,7H)-trione, 5a,9,9a,9b-tetrahydro-3-methyl-, (5a?,5b?,9a?,9b?)-
Preferred Name English
4'-Methylangelicin-thymine-3,4-photocylcloadduct
Common Name English
Code System Code Type Description
PUBCHEM
3082904
Created by admin on Mon Mar 31 22:54:13 GMT 2025 , Edited by admin on Mon Mar 31 22:54:13 GMT 2025
PRIMARY
EPA CompTox
DTXSID40922611
Created by admin on Mon Mar 31 22:54:13 GMT 2025 , Edited by admin on Mon Mar 31 22:54:13 GMT 2025
PRIMARY
FDA UNII
VQJ3H9S9TR
Created by admin on Mon Mar 31 22:54:13 GMT 2025 , Edited by admin on Mon Mar 31 22:54:13 GMT 2025
PRIMARY
CAS
118122-53-5
Created by admin on Mon Mar 31 22:54:13 GMT 2025 , Edited by admin on Mon Mar 31 22:54:13 GMT 2025
PRIMARY