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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H24O8
Molecular Weight 320.3356
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Octanoyl-β-D-glucuronide

SMILES

CCCCCCCC(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O

InChI

InChIKey=ASFORWUCPCKFPY-BYNIDDHOSA-N
InChI=1S/C14H24O8/c1-2-3-4-5-6-7-8(15)21-14-11(18)9(16)10(17)12(22-14)13(19)20/h9-12,14,16-18H,2-7H2,1H3,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H24O8
Molecular Weight 320.3356
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:26:40 GMT 2023
Edited
by admin
on Sat Dec 16 16:26:40 GMT 2023
Record UNII
NN4A4P5NMV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Octanoyl-β-D-glucuronide
Common Name English
β-D-Glucopyranuronic acid, 1-octanoate
Common Name English
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-octanoyloxyoxane-2-carboxylic acid
Common Name English
Code System Code Type Description
CAS
99910-55-1
Created by admin on Sat Dec 16 16:26:40 GMT 2023 , Edited by admin on Sat Dec 16 16:26:40 GMT 2023
PRIMARY
FDA UNII
NN4A4P5NMV
Created by admin on Sat Dec 16 16:26:40 GMT 2023 , Edited by admin on Sat Dec 16 16:26:40 GMT 2023
PRIMARY
PUBCHEM
127448
Created by admin on Sat Dec 16 16:26:40 GMT 2023 , Edited by admin on Sat Dec 16 16:26:40 GMT 2023
PRIMARY
EPA CompTox
DTXSID60912392
Created by admin on Sat Dec 16 16:26:40 GMT 2023 , Edited by admin on Sat Dec 16 16:26:40 GMT 2023
PRIMARY