Record Information
Version1.0
Creation date2010-04-08 22:15:25 UTC
Update date2019-11-26 03:19:46 UTC
Primary IDFDB021016
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameN-Methoxyspirobrassinol
DescriptionStress metabolite from the Japanese radish Daikon (Raphanus sativus variety hortensis) (Cruciferae) inoculated with Pseudomonas cichorii. N-Methoxyspirobrassinol is found in brassicas.
CAS NumberNot Available
Structure
Thumb
Synonyms
Predicted PropertiesNot Available
Chemical FormulaC12H14N2O2S2
IUPAC name
InChI IdentifierInChI=1S/C12H14N2O2S2/c1-16-14-9-6-4-3-5-8(9)12(10(14)15)7-13-11(17-2)18-12/h3-6,10,15H,7H2,1-2H3
InChI KeyYMIMEAOCSJOCSI-UHFFFAOYSA-N
Isomeric SMILESCON1C(O)C2(CN=C(SC)S2)C2=CC=CC=C12
Average Molecular Weight282.382
Monoisotopic Molecular Weight282.049669082
Classification
ClassificationNot classified
Ontology
Disposition

Route of exposure:

Source:

Biological location:

Role

Biological role:

Physico-Chemical Properties
Physico-Chemical Properties - Experimental
Spectra
SpectraNot Available
ChemSpider ID8441290
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID10265811
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB41133
CRC / DFC (Dictionary of Food Compounds) IDNGV13-H:NJN66-G
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
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Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference