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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H28O12
Molecular Weight 472.4398
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEOXYNIVALENOL 7-GLUCURONIDE

SMILES

[H][C@@]12O[C@]3([H])C=C(C)C(=O)[C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)[C@]3(CO)[C@@](C)(C[C@H]1O)[C@]25CO5

InChI

InChIKey=LMJBASXLWPRJIC-QRTFYCIOSA-N
InChI=1S/C21H28O12/c1-7-3-9-20(5-22,19(2)4-8(23)15(31-9)21(19)6-30-21)16(10(7)24)33-18-13(27)11(25)12(26)14(32-18)17(28)29/h3,8-9,11-16,18,22-23,25-27H,4-6H2,1-2H3,(H,28,29)/t8-,9-,11+,12+,13-,14+,15-,16-,18+,19-,20-,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H28O12
Molecular Weight 472.4398
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:52:49 GMT 2023
Edited
by admin
on Sat Dec 16 14:52:49 GMT 2023
Record UNII
EJ6J99X8GP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEOXYNIVALENOL 7-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.ALPHA.,7.ALPHA.)-12,13-EPOXY-3,15-DIHYDROXY-8-OXOTRICHOTHEC-9-EN-7-YL
Systematic Name English
DON-7-GLCA
Common Name English
(3.ALPHA.,7.ALPHA.)-12,13-EPOXY-3,15-DIHYDROXY-8-OXOTRICHOTHEC-9-EN-7-YL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
VOMITOXIN 7-GLUCURONIDE
Common Name English
Code System Code Type Description
CAS
1408196-85-9
Created by admin on Sat Dec 16 14:52:49 GMT 2023 , Edited by admin on Sat Dec 16 14:52:49 GMT 2023
PRIMARY
PUBCHEM
134687248
Created by admin on Sat Dec 16 14:52:49 GMT 2023 , Edited by admin on Sat Dec 16 14:52:49 GMT 2023
PRIMARY
FDA UNII
EJ6J99X8GP
Created by admin on Sat Dec 16 14:52:49 GMT 2023 , Edited by admin on Sat Dec 16 14:52:49 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE