U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry EPIMERIC
Molecular Formula C13H12O6
Molecular Weight 264.2308
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NM-3

SMILES

COC1=CC(O)=C2C(=O)OC(=CC2=C1)C(C)C(O)=O

InChI

InChIKey=BPZCXUROMKDLGX-UHFFFAOYSA-N
InChI=1S/C13H12O6/c1-6(12(15)16)10-4-7-3-8(18-2)5-9(14)11(7)13(17)19-10/h3-6,14H,1-2H3,(H,15,16)

HIDE SMILES / InChI

Approval Year

Name Type Language
NM-3
Common Name English
1H-2-BENZOPYRAN-3-ACETIC ACID, 8-HYDROXY-6-METHOXY-.ALPHA.-METHYL-1-OXO-
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C1971
Created by admin on Sat Dec 16 05:00:57 UTC 2023 , Edited by admin on Sat Dec 16 05:00:57 UTC 2023
Code System Code Type Description
DRUG BANK
DB12818
Created by admin on Sat Dec 16 05:00:57 UTC 2023 , Edited by admin on Sat Dec 16 05:00:57 UTC 2023
PRIMARY
FDA UNII
5797K23F95
Created by admin on Sat Dec 16 05:00:57 UTC 2023 , Edited by admin on Sat Dec 16 05:00:57 UTC 2023
PRIMARY
EPA CompTox
DTXSID10939433
Created by admin on Sat Dec 16 05:00:57 UTC 2023 , Edited by admin on Sat Dec 16 05:00:57 UTC 2023
PRIMARY
NCI_THESAURUS
C1888
Created by admin on Sat Dec 16 05:00:57 UTC 2023 , Edited by admin on Sat Dec 16 05:00:57 UTC 2023
PRIMARY
CAS
181427-78-1
Created by admin on Sat Dec 16 05:00:57 UTC 2023 , Edited by admin on Sat Dec 16 05:00:57 UTC 2023
PRIMARY
PUBCHEM
5493470
Created by admin on Sat Dec 16 05:00:57 UTC 2023 , Edited by admin on Sat Dec 16 05:00:57 UTC 2023
PRIMARY