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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:9151 - Sinalbin
Main
ChEBI Ontology
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ChEBI Name
Sinalbin
ChEBI ID
CHEBI:9151
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C14H18NO10S2
Net Charge
0
Average Mass
425.434
Monoisotopic Mass
425.04504
InChI
InChI=1S/C14H19NO10S2/c16-
6-
9-
11(18)
12(19)
13(20)
14(24-
9)
26-
10(15-
25-
27(21,22)
23)
5-
7-
1-
3-
8(17)
4-
2-
7/h1-
4,9,11-
14,16-
20H,5-
6H2,(H,21,22,23)
/t9-
,11-
,12+,13-
,14+/m1/s1
InChIKey
WWBNBPSEKLOHJU-LPUQOGTASA-N
SMILES
OC[C@H]1O[C@@H](SC(Cc2ccc(O)cc2)=NOS(O)(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O
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.
(via
glucosinolate
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Sinalbin (
CHEBI:9151
)
is a
glucosinolate (
CHEBI:24279
)
Synonyms
Sources
p-Hydroxybenzyl glucosinolate
KEGG COMPOUND
Sinalbin
KEGG COMPOUND
Manual Xrefs
Databases
C00001487
KNApSAcK
C08426
KEGG COMPOUND
View more database links
Registry Number
Type
Source
20196-67-2
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014