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:10111 - Zierin
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Zierin
ChEBI ID
CHEBI:10111
Stars
This entity has been manually annotated by a third party.
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
C14H17NO7
Net Charge
0
Average Mass
311.288
Monoisotopic Mass
311.10050
InChI
InChI=1S/C14H17NO7/c15-
5-
9(7-
2-
1-
3-
8(17)
4-
7)
21-
14-
13(20)
12(19)
11(18)
10(6-
16)
22-
14/h1-
4,9-
14,16-
20H,6H2/t9-
,10-
,11-
,12+,13-
,14-
/m1/s1
InChIKey
KCVXNPDAHDGXFD-YOVYLDAJSA-N
SMILES
OC[C@H]1O[C@@H](O[C@H](C#N)c2cccc(O)c2)[C@H](O)[C@@H](O)[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.
(via
cyanogenic glycoside
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Zierin (
CHEBI:10111
)
is a
cyanogenic glycoside (
CHEBI:23436
)
Synonyms
Sources
Benzeneacetonitrile, alpha-(beta-D-glucopyranosyloxy)-3-hydroxy-, (S)
KEGG COMPOUND
Zierin
KEGG COMPOUND
Manual Xrefs
Databases
C00001460
KNApSAcK
C08345
KEGG COMPOUND
View more database links
Registry Number
Type
Source
645-02-3
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014