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:5196 - furcatin
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
furcatin
ChEBI ID
CHEBI:5196
Definition
A disaccharide derivative that is β-
D
-apiofuranosyl-(1→6)-
D
-glucopyranose with a 4-(prop-2-en-1-yl)phenyl group substituent.
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
C20H28O10
Net Charge
0
Average Mass
428.43030
Monoisotopic Mass
428.16825
InChI
InChI=1S/C20H28O10/c1-
2-
3-
11-
4-
6-
12(7-
5-
11)
29-
18-
16(24)
15(23)
14(22)
13(30-
18)
8-
27-
19-
17(25)
20(26,9-
21)
10-
28-
19/h2,4-
7,13-
19,21-
26H,1,3,8-
10H2/t13-
,14-
,15+,16-
,17+,18-
,19-
,20-
/m1/s1
InChIKey
HLTAEJNADMCLOV-LTRJMQNCSA-N
SMILES
OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](Oc3ccc(CC=C)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
furcatin (
CHEBI:5196
)
has functional parent
β-
D
-apiofuranosyl-(1→6)-
D
-glucopyranose (
CHEBI:55406
)
furcatin (
CHEBI:5196
)
has role
metabolite (
CHEBI:25212
)
furcatin (
CHEBI:5196
)
is a
disaccharide derivative (
CHEBI:63353
)
IUPAC Name
4-
(prop-
2-
en-
1-
yl)phenyl 6-
O
-
[(2
R
,3
R
,4
R
)-
3,4-
dihydroxy-
4-
(hydroxymethyl)tetrahydrofuran-
2-
yl]-
β-
D
-
glucopyranoside
Synonym
Source
β-
D
-
apiofuranosyl-
(1→6)-
D
-
glucopyranosyl-
4-
(prop-
2-
en-
1-
yl)phenyl
ChEBI
Manual Xrefs
Databases
C00002745
KNApSAcK
C10458
KEGG COMPOUND
CPD-14703
MetaCyc
View more database links
Registry Numbers
Types
Sources
499-33-2
CAS Registry Number
KEGG COMPOUND
6444066
Reaxys Registry Number
Reaxys
Last Modified
28 July 2014