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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H22O10
Molecular Weight 446.4041
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SISSOTRIN

SMILES

COC1=CC=C(C=C1)C2=COC3=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=C3C2=O

InChI

InChIKey=LFEUICHQZGNOHD-RECXWPGBSA-N
InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19-,20+,21-,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H22O10
Molecular Weight 446.4041
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 09:32:11 GMT 2023
Edited
by admin
on Sat Dec 16 09:32:11 GMT 2023
Record UNII
2F2SK16U1X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SISSOTRIN
MI  
Common Name English
BIOCHANIN A 7-GLUCOSIDE
Common Name English
BIOCHANIN A 7-.BETA.-D-GLUCOPYRANOSIDE
Common Name English
4H-1-BENZOPYRAN-4-ONE, 7-(.BETA.-D-GLUCOPYRANOSYLOXY)-5-HYDROXY-3-(4-METHOXYPHENYL)-
Systematic Name English
5-HYDROXYL ONONIN
Common Name English
7-(.BETA.-D-GLUCOPYRANOSYLOXY)-5-HYDROXY-3-(4-METHOXYPHENYL)-4H-1-BENZOPYRAN-4-ONE
Systematic Name English
BIOCHANIN A GLUCOSIDE
Common Name English
NSC-289565
Code English
BIOCHANIN 7-O-GLUCOSIDE
Common Name English
SISSOTRIN [MI]
Common Name English
BIOCHANIN A 7-O-.BETA.-GLUCOSIDE
Common Name English
Code System Code Type Description
MERCK INDEX
m2501
Created by admin on Sat Dec 16 09:32:11 GMT 2023 , Edited by admin on Sat Dec 16 09:32:11 GMT 2023
PRIMARY Merck Index
CAS
5928-26-7
Created by admin on Sat Dec 16 09:32:11 GMT 2023 , Edited by admin on Sat Dec 16 09:32:11 GMT 2023
PRIMARY
CHEBI
28751
Created by admin on Sat Dec 16 09:32:11 GMT 2023 , Edited by admin on Sat Dec 16 09:32:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID50974707
Created by admin on Sat Dec 16 09:32:11 GMT 2023 , Edited by admin on Sat Dec 16 09:32:11 GMT 2023
PRIMARY
PUBCHEM
5280781
Created by admin on Sat Dec 16 09:32:11 GMT 2023 , Edited by admin on Sat Dec 16 09:32:11 GMT 2023
PRIMARY
FDA UNII
2F2SK16U1X
Created by admin on Sat Dec 16 09:32:11 GMT 2023 , Edited by admin on Sat Dec 16 09:32:11 GMT 2023
PRIMARY
NSC
289565
Created by admin on Sat Dec 16 09:32:11 GMT 2023 , Edited by admin on Sat Dec 16 09:32:11 GMT 2023
PRIMARY