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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H16O6
Molecular Weight 304.2946
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FONSECIN B

SMILES

COC1=CC2=CC3=C(C(=O)C[C@@](C)(O)O3)C(O)=C2C(OC)=C1

InChI

InChIKey=ZYTKFYQKQVYVMW-INIZCTEOSA-N
InChI=1S/C16H16O6/c1-16(19)7-10(17)14-12(22-16)5-8-4-9(20-2)6-11(21-3)13(8)15(14)18/h4-6,18-19H,7H2,1-3H3/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H16O6
Molecular Weight 304.2946
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:30:23 GMT 2023
Edited
by admin
on Sat Dec 16 11:30:23 GMT 2023
Record UNII
5C2V4W4G42
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FONSECIN B
Common Name English
FONSECIN MONOMETHYL ETHER
Common Name English
TMD-256B2
Code English
1,3-BUTANEDIONE, 1-(1,3-DIHYDROXY-6,8-DIMETHOXY-2-NAPHTHALENYL)-
Systematic Name English
4H-NAPHTHO(2,3-B)PYRAN-4-ONE, 2,3-DIHYDRO-2,5-DIHYDROXY-6,8-DIMETHOXY-2-METHYL-
Systematic Name English
Code System Code Type Description
CHEBI
133825
Created by admin on Sat Dec 16 11:30:24 GMT 2023 , Edited by admin on Sat Dec 16 11:30:24 GMT 2023
PRIMARY
CAS
1856-95-7
Created by admin on Sat Dec 16 11:30:24 GMT 2023 , Edited by admin on Sat Dec 16 11:30:24 GMT 2023
PRIMARY
PUBCHEM
145722038
Created by admin on Sat Dec 16 11:30:24 GMT 2023 , Edited by admin on Sat Dec 16 11:30:24 GMT 2023
PRIMARY
FDA UNII
5C2V4W4G42
Created by admin on Sat Dec 16 11:30:24 GMT 2023 , Edited by admin on Sat Dec 16 11:30:24 GMT 2023
PRIMARY
EPA CompTox
DTXSID20939984
Created by admin on Sat Dec 16 11:30:24 GMT 2023 , Edited by admin on Sat Dec 16 11:30:24 GMT 2023
PRIMARY
CAS
94709-33-8
Created by admin on Sat Dec 16 11:30:24 GMT 2023 , Edited by admin on Sat Dec 16 11:30:24 GMT 2023
ALTERNATIVE
Related Record Type Details
PARENT -> METABOLITE