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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H30O15
Molecular Weight 594.5181
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Kaempferol 7-neohesperidoside

SMILES

C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC3=CC4=C(C(=O)C(O)=C(O4)C5=CC=C(O)C=C5)C(O)=C3)[C@H](O)[C@H](O)[C@H]1O

InChI

InChIKey=ZEJXENDZTYVXDP-CSJHBIPPSA-N
InChI=1S/C27H30O15/c1-9-17(31)20(34)23(37)26(38-9)42-25-21(35)18(32)15(8-28)41-27(25)39-12-6-13(30)16-14(7-12)40-24(22(36)19(16)33)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-21,23,25-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,23+,25+,26-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H30O15
Molecular Weight 594.5181
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:45:01 GMT 2025
Edited
by admin
on Mon Mar 31 21:45:01 GMT 2025
Record UNII
74LUK83BTP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Kaempferol 7-O-neohesperidoside
Preferred Name English
Kaempferol 7-neohesperidoside
Common Name English
4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-?-L-mannopyranosyl)-?-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-
Systematic Name English
7-[[2-O-(6-Deoxy-?-L-mannopyranosyl)-?-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Systematic Name English
Code System Code Type Description
PUBCHEM
5483905
Created by admin on Mon Mar 31 21:45:01 GMT 2025 , Edited by admin on Mon Mar 31 21:45:01 GMT 2025
PRIMARY
FDA UNII
74LUK83BTP
Created by admin on Mon Mar 31 21:45:01 GMT 2025 , Edited by admin on Mon Mar 31 21:45:01 GMT 2025
PRIMARY
CAS
17353-03-6
Created by admin on Mon Mar 31 21:45:01 GMT 2025 , Edited by admin on Mon Mar 31 21:45:01 GMT 2025
PRIMARY
ECHA (EC/EINECS)
241-377-3
Created by admin on Mon Mar 31 21:45:01 GMT 2025 , Edited by admin on Mon Mar 31 21:45:01 GMT 2025
PRIMARY
EPA CompTox
DTXSID70938402
Created by admin on Mon Mar 31 21:45:01 GMT 2025 , Edited by admin on Mon Mar 31 21:45:01 GMT 2025
PRIMARY