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ChEBI
> Main
CHEBI:81000 - Glucoaubrietin
Main
ChEBI Ontology
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ChEBI Name
Glucoaubrietin
ChEBI ID
CHEBI:81000
Stars
This entity has been manually annotated by a third party.
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Formula
C15H21NO10S2
Net Charge
0
Average Mass
439.45800
Monoisotopic Mass
439.06069
InChI
InChI=1S/C15H21NO10S2/c1-
24-
9-
4-
2-
8(3-
5-
9)
6-
11(16-
26-
28(21,22)
23)
27-
15-
14(20)
13(19)
12(18)
10(7-
17)
25-
15/h2-
5,10,12-
15,17-
20H,6-
7H2,1H3,(H,21,22,23)
/t10-
,12-
,13+,14-
,15+/m1/s1
InChIKey
OYRNEHKPHKBUCL-LFHLZQBKSA-N
SMILES
COc1ccc(CC(S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=NOS(O)(=O)=O)cc1
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
glucosinolic acid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Glucoaubrietin (
CHEBI:81000
)
is a
glucosinolic acid (
CHEBI:79316
)
Synonym
Source
4-Methoxybenzyl glucosinolate
KEGG COMPOUND
Manual Xref
Database
C17273
KEGG COMPOUND
View more database links
Last Modified
07 March 2024