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:7502 - neoeriocitrin
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
neoeriocitrin
ChEBI ID
CHEBI:7502
Definition
A flavanone glycoside that is eriodictyol substituted by a 2-
O
-(6-deoxy-α-
L
-mannopyranosyl)-β-
D
-glucopyranosyl residue at position 7 via a glycosidic linkage.
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
more structures >>
Molfile
Wikipedia
License
Read full article at Wikipedia
Formula
C27H32O15
Net Charge
0
Average Mass
596.53400
Monoisotopic Mass
596.17412
InChI
InChI=1S/C27H32O15/c1-
9-
20(33)
22(35)
24(37)
26(38-
9)
42-
25-
23(36)
21(34)
18(8-
28)
41-
27(25)
39-
11-
5-
14(31)
19-
15(32)
7-
16(40-
17(19)
6-
11)
10-
2-
3-
12(29)
13(30)
4-
10/h2-
6,9,16,18,20-
31,33-
37H,7-
8H2,1H3/t9-
,16-
,18+,20-
,21+,22+,23-
,24+,25+,26-
,27+/m0/s1
InChIKey
OBKKEZLIABHSGY-DOYQYKRZSA-N
SMILES
C[C@@H]
1O[C@@H]
(O[C@@H]
2[C@@H]
(O)
[C@H]
(O)
[C@@H]
(CO)
O[C@H]
2Oc2cc(O)
c3C(=O)
C[C@H]
(Oc3c2)
c2ccc(O)
c(O)
c2)
[C@H]
(O)
[C@H]
(O)
[C@H]
1O
Metabolite of Species
Details
Clinopodium chinense
(NCBI:txid516070)
Found in aerial part
(BTO:0001658)
. See:
PubMed
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
neoeriocitrin (
CHEBI:7502
)
has functional parent
eriodictyol (
CHEBI:28412
)
neoeriocitrin (
CHEBI:7502
)
has role
plant metabolite (
CHEBI:76924
)
neoeriocitrin (
CHEBI:7502
)
is a
4'-hydroxyflavanones (
CHEBI:140331
)
neoeriocitrin (
CHEBI:7502
)
is a
disaccharide derivative (
CHEBI:63353
)
neoeriocitrin (
CHEBI:7502
)
is a
flavanone glycoside (
CHEBI:72730
)
neoeriocitrin (
CHEBI:7502
)
is a
neohesperidoside (
CHEBI:25495
)
neoeriocitrin (
CHEBI:7502
)
is a
trihydroxyflavanone (
CHEBI:38739
)
IUPAC Name
(2
S
)-
2-
(3,4-
dihydroxyphenyl)-
5-
hydroxy-
4-
oxo-
3,4-
dihydro-
2
H
-
1-
benzopyran-
7-
yl 2-
O
-
(6-
deoxy-
α-
L
-
mannopyranosyl)-
β-
D
-
glucopyranoside
Synonym
Source
Eriodictyol 7-O-neohesperidoside
KEGG COMPOUND
Manual Xrefs
Databases
C00000986
KNApSAcK
C09805
KEGG COMPOUND
LMPK12140359
LIPID MAPS
Neoeriocitrin
Wikipedia
View more database links
Registry Numbers
Types
Sources
1304378
Reaxys Registry Number
Reaxys
13241-32-2
CAS Registry Number
KEGG COMPOUND
13241-32-2
CAS Registry Number
ChemIDplus
Citations
Types
Sources
23178306
PubMed citation
Europe PMC
25798688
PubMed citation
Europe PMC
Last Modified
05 April 2018