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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H30O17
Molecular Weight 626.518
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUERCETIN 3,7-DIGLUCOSIDE

SMILES

c1cc(c(cc1-c2c(c(=O)c3c(cc(cc3o2)O[C@@]4([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(CO)O4)O)O)O)O)O[C@@]5([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(CO)O5)O)O)O)O)O

InChI

InChIKey=BNSCASRSSGJHQH-DEFKTLOSSA-N
InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-9-4-12(32)16-13(5-9)41-24(8-1-2-10(30)11(31)3-8)25(19(16)35)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H30O17
Molecular Weight 626.518
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
[Studies on the chemical constituents of Coeloglossum viride (L.) Hartm. var. bracteatum (Willd.) Richter].
2002 Mar
[Isolation and structure identification of chemical constituents from the seeds of Descurainia sophia (L.) Webb ex Prantl].
2004 Jan
Substance Class Chemical
Created
by admin
on Sat Jun 26 15:33:30 UTC 2021
Edited
by admin
on Sat Jun 26 15:33:30 UTC 2021
Record UNII
S2L05XBF3A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
QUERCETIN 3,7-DIGLUCOSIDE
Common Name English
4H-1-BENZOPYRAN-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-3,7-BIS(.BETA.-D-GLUCOPYRANOSYLOXY)-5-HYDROXY-
Common Name English
FLAVONE, 3,3',4',5,7-PENTAHYDROXY-, 3,7-DI-.BETA.-D-GLUCOPYRANOSIDE
Common Name English
3,7-DIGLUCOSYLQUERCETIN
Common Name English
QUERCETIN-3,7-O-.BETA.-DIGLUCOPYRANOSIDE
Common Name English
Code System Code Type Description
CAS
6892-74-6
Created by admin on Sat Jun 26 15:33:30 UTC 2021 , Edited by admin on Sat Jun 26 15:33:30 UTC 2021
PRIMARY
PUBCHEM
10121947
Created by admin on Sat Jun 26 15:33:30 UTC 2021 , Edited by admin on Sat Jun 26 15:33:30 UTC 2021
PRIMARY
EPA CompTox
6892-74-6
Created by admin on Sat Jun 26 15:33:30 UTC 2021 , Edited by admin on Sat Jun 26 15:33:30 UTC 2021
PRIMARY
FDA UNII
S2L05XBF3A
Created by admin on Sat Jun 26 15:33:30 UTC 2021 , Edited by admin on Sat Jun 26 15:33:30 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT