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Details

Stereochemistry EPIMERIC
Molecular Formula C20H20O8
Molecular Weight 388.368
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5'-HYDROXYAVERANTIN

SMILES

CC(O)CCC[C@H](O)C1=C(O)C2=C(C=C1O)C(=O)C3=CC(O)=CC(O)=C3C2=O

InChI

InChIKey=GGNDESPZSKTNHV-MYIOLCAUSA-N
InChI=1S/C20H20O8/c1-8(21)3-2-4-12(23)17-14(25)7-11-16(20(17)28)19(27)15-10(18(11)26)5-9(22)6-13(15)24/h5-8,12,21-25,28H,2-4H2,1H3/t8?,12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H20O8
Molecular Weight 388.368
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:32:13 GMT 2023
Edited
by admin
on Sat Dec 16 11:32:13 GMT 2023
Record UNII
BSU105711C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5'-HYDROXYAVERANTIN
Common Name English
9,10-ANTHRACENEDIONE, 2-((1S)-1,5-DIHYDROXYHEXYL)-1,3,6,8-TETRAHYDROXY-
Systematic Name English
Code System Code Type Description
PUBCHEM
121225496
Created by admin on Sat Dec 16 11:32:13 GMT 2023 , Edited by admin on Sat Dec 16 11:32:13 GMT 2023
PRIMARY
EPA CompTox
DTXSID60928711
Created by admin on Sat Dec 16 11:32:13 GMT 2023 , Edited by admin on Sat Dec 16 11:32:13 GMT 2023
PRIMARY
FDA UNII
BSU105711C
Created by admin on Sat Dec 16 11:32:13 GMT 2023 , Edited by admin on Sat Dec 16 11:32:13 GMT 2023
PRIMARY
CAS
134664-54-3
Created by admin on Sat Dec 16 11:32:13 GMT 2023 , Edited by admin on Sat Dec 16 11:32:13 GMT 2023
PRIMARY
Related Record Type Details
DIASTEREOISOMER -> EPIMER
DIASTEREOISOMER -> EPIMER
METABOLIC ENZYME -> SUBSTRATE
Related Record Type Details
PARENT -> METABOLITE