Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:136778 - quercetin 3-β-gentiobioside
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
quercetin 3-β-gentiobioside
ChEBI ID
CHEBI:136778
ChEBI ASCII Name
quercetin 3-beta-gentiobioside
Definition
A quercetin
O
-glycoside in which the hydroxy hydrogen at position 3 of quercetin has been replaced by a gentiobiosyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C27H30O17
Net Charge
0
Average Mass
626.518
Monoisotopic Mass
626.14830
InChI
InChI=1S/C27H30O17/c28-
6-
14-
17(33)
20(36)
22(38)
26(42-
14)
40-
7-
15-
18(34)
21(37)
23(39)
27(43-
15)
44-
25-
19(35)
16-
12(32)
4-
9(29)
5-
13(16)
41-
24(25)
8-
1-
2-
10(30)
11(31)
3-
8/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
InChIKey
FDRQPMVGJOQVTL-DEFKTLOSSA-N
SMILES
O1[C@@H]
([C@@H]
(O)
[C@H]
(O)
[C@@H]
(O)
[C@@H]
1OC2=C(OC=3C(C2=O)
=C(O)
C=C(O)
C3)
C4=CC(O)
=C(O)
C=C4)
CO[C@@]
5(O[C@@H]
([C@@H]
(O)
[C@H]
(O)
[C@H]
5O)
CO)
[H]
Metabolite of Species
Details
Ochradenus baccatus
(NCBI:txid264972)
Found in aerial part
(BTO:0001658)
. See:
PubMed
Artemisia iwayomogi
(NCBI:txid265784)
See:
PubMed
Brassica napus
(NCBI:txid3708)
See:
PubMed
Brassica napus
(NCBI:txid3708)
See:
MetaboLights Study
Roles Classification
Biological Role
(s):
Brassica napus metabolite
Any plant metabolite that is produced by rapeseed (
Brassica napus
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
quercetin 3-β-gentiobioside (
CHEBI:136778
)
has functional parent
gentiobiose (
CHEBI:28066
)
quercetin 3-β-gentiobioside (
CHEBI:136778
)
has role
Brassica napus
metabolite (
CHEBI:140165
)
quercetin 3-β-gentiobioside (
CHEBI:136778
)
is a
disaccharide derivative (
CHEBI:63353
)
quercetin 3-β-gentiobioside (
CHEBI:136778
)
is a
quercetin
O
-glycoside (
CHEBI:76424
)
quercetin 3-β-gentiobioside (
CHEBI:136778
)
is a
tetrahydroxyflavone (
CHEBI:38684
)
IUPAC Name
2-
(3,4-
dihydroxyphenyl)-
5,7-
dihydroxy-
4-
oxo-
4
H
-
1-
benzopyran-
3-
yl 6-
O
-
β-
D
-
glucopyranosyl-
β-
D
-
glucopyranoside
Synonyms
Sources
2-
(3,4-
dihydroxyphenyl)-
5,7-
dihydroxy-
4-
oxo-
4
H
-
1-
benzopyran-
3-
yl β-
D
-
glucopyranosyl-
(1→6)-
β-
D
-
glucopyranoside
ChEBI
2-
(3,4-
dihydroxyphenyl)-
5,7-
dihydroxy-
4-
oxo-
4
H
-
1-
benzopyran-
3-
yl β-
D
-
glucosyl-
(1→6)-
β-
D
-
glucoside
ChEBI
β-
D
-glucosyl-(1→6)-β-
D
-glucoside
ChEBI
quercetin 3-gentiobioside
ChEBI
quercetin β-
D
-glucopyranosyl-(1→6)-β-
D
-glucopyranoside
ChEBI
quercetin-3-gentiobioside
MetaCyc
Manual Xrefs
Databases
C00005411
KNApSAcK
CPD-14820
MetaCyc
LMPK12112096
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1339956
Reaxys Registry Number
Reaxys
7431-83-6
CAS Registry Number
KNApSAcK
Citations
Types
Sources
1367842
PubMed citation
Europe PMC
28512639
PubMed citation
Europe PMC
Last Modified
15 March 2018