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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H14O10
Molecular Weight 438.3406
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of POLYOZELLIN

SMILES

CC(=O)OC1=C(OC(C)=O)C2=C(OC3=CC(O)=C(O)C=C23)C4=C1C5=CC(O)=C(O)C=C5O4

InChI

InChIKey=NOBAAHRLFGFAOS-UHFFFAOYSA-N
InChI=1S/C22H14O10/c1-7(23)29-19-17-9-3-11(25)13(27)5-15(9)31-21(17)22-18(20(19)30-8(2)24)10-4-12(26)14(28)6-16(10)32-22/h3-6,25-28H,1-2H3

HIDE SMILES / InChI

Molecular Formula C22H14O10
Molecular Weight 438.3406
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
B7DFS96VZB
Record Status Validated (UNII)
Record Version