N-Methoxyspirobrassinol methyl ether (CHEBI:169036)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	N-Methoxyspirobrassinol methyl ether

ChEBI ID	CHEBI:169036

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H16N2O2S2

Net Charge

Average Mass

296.400

Monoisotopic Mass

296.06532

InChI

InChI=1S/C13H16N2O2S2/c1-16-11-13(8-14-12(18-3)19-13)9-6-4-5-7-10(9)15(11)17-2/h4-7,11H,8H2,1-3H3

InChIKey

KJSKSCBVIGFOKZ-UHFFFAOYSA-N

SMILES

S1C2(C(OC)N(OC)C=3C2=CC=CC3)CN=C1SC

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

ChEBI Ontology
Outgoing	N-Methoxyspirobrassinol methyl ether (CHEBI:169036) is a indoles (CHEBI:24828)

IUPAC Name

1,2-dimethoxy-2'-methylsulanylspiro[2H-indole-3,5'-4H-1,3-thiazole]