CHEBI:169342 - 4-Methoxybrassinin

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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 4-Methoxybrassinin
ChEBI ID CHEBI:169342
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H14N2OS2
Net Charge 0
Average Mass 266.380
Monoisotopic Mass 266.05476
InChI InChI=1S/C12H14N2OS2/c1-15-10-5-3-4-9-11(10)8(6-13-9)7-14-12(16)17-2/h3-6,13H,7H2,1-2H3,(H,14,16)
InChIKey JVKOHVNWMQYCIN-UHFFFAOYSA-N
SMILES S(C(=S)NCC=1C2=C(NC1)C=CC=C2OC)C
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 4-Methoxybrassinin (CHEBI:169342) is a indoles (CHEBI:24828)
IUPAC Name
methyl N-[(4-methoxy-1H-indol-3-yl)methyl]carbamodithioate
Manual Xrefs Databases
9186134 ChemSpider
HMDB0040790 HMDB
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