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Details

Stereochemistry ACHIRAL
Molecular Formula C12H12O5
Molecular Weight 236.2207
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TABAISOCOUMARIN C

SMILES

COC1=CC=C2C(=O)OC(CO)=CC2=C1CO

InChI

InChIKey=NPYUKZGDVUTJNI-UHFFFAOYSA-N
InChI=1S/C12H12O5/c1-16-11-3-2-8-9(10(11)6-14)4-7(5-13)17-12(8)15/h2-4,13-14H,5-6H2,1H3

HIDE SMILES / InChI

Molecular Formula C12H12O5
Molecular Weight 236.2207
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 Mon Mar 31 23:28:47 GMT 2025
Edited
by admin
on Mon Mar 31 23:28:47 GMT 2025
Record UNII
STB86UL25W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TABAISOCOUMARIN C
Common Name English
1H-2-BENZOPYRAN-1-ONE, 3,5-BIS(HYDROXYMETHYL)-6-METHOXY-
Preferred Name English
3,5-BIS(HYDROXYMETHYL)-6-METHOXY-1H-ISOCHROMEN-1-ONE
Systematic Name English
Code System Code Type Description
FDA UNII
STB86UL25W
Created by admin on Mon Mar 31 23:28:47 GMT 2025 , Edited by admin on Mon Mar 31 23:28:47 GMT 2025
PRIMARY
CAS
1887210-64-1
Created by admin on Mon Mar 31 23:28:47 GMT 2025 , Edited by admin on Mon Mar 31 23:28:47 GMT 2025
PRIMARY
PUBCHEM
102531488
Created by admin on Mon Mar 31 23:28:47 GMT 2025 , Edited by admin on Mon Mar 31 23:28:47 GMT 2025
PRIMARY