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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H20O10
Molecular Weight 432.3775
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EMODIN 1-O-.BETA.-D-GLUCOSIDE

SMILES

CC1=CC2=C(C(=O)C3=C(O)C=C(O)C=C3C2=O)C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C1

InChI

InChIKey=ZXXFEBMBNPRRSI-JNHRPPPUSA-N
InChI=1S/C21H20O10/c1-7-2-9-15(18(27)14-10(16(9)25)4-8(23)5-11(14)24)12(3-7)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3/t13-,17-,19+,20-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H20O10
Molecular Weight 432.3775
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 Fri Dec 15 21:40:28 GMT 2023
Edited
by admin
on Fri Dec 15 21:40:28 GMT 2023
Record UNII
513F53H6BU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EMODIN 1-O-.BETA.-D-GLUCOSIDE
Common Name English
9,10-ANTHRACENEDIONE, 1-(.BETA.-D-GLUCOPYRANOSYLOXY)-6,8-DIHYDROXY-3-METHYL-
Common Name English
EMODIN 1-O-.BETA.-D-GLUCOPYRANOSIDE
Common Name English
EMODIN 1-.BETA.-D-GLUCOPYRANOSIDE
Common Name English
EMODIN-1-GLUCOSIDE
Common Name English
1-O-.BETA.-D-GLUCOPYRANOSYLEMODIN
Common Name English
EMODIN 1-.BETA.-GLUCOSIDE
Common Name English
EMODIN-1-O-GLUCOSIDE
Common Name English
Code System Code Type Description
CAS
38840-23-2
Created by admin on Fri Dec 15 21:40:28 GMT 2023 , Edited by admin on Fri Dec 15 21:40:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID201020031
Created by admin on Fri Dec 15 21:40:28 GMT 2023 , Edited by admin on Fri Dec 15 21:40:28 GMT 2023
PRIMARY
PUBCHEM
5319333
Created by admin on Fri Dec 15 21:40:28 GMT 2023 , Edited by admin on Fri Dec 15 21:40:28 GMT 2023
PRIMARY
FDA UNII
513F53H6BU
Created by admin on Fri Dec 15 21:40:28 GMT 2023 , Edited by admin on Fri Dec 15 21:40:28 GMT 2023
PRIMARY