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CHEBI:188729 - 1-Diazo-5-(dodecyloxy)-2-methyl-2,3-dihydro-1H-benzo[f]thiochromene

ChEBI IDCHEBI:188729
ChEBI Name1-Diazo-5-(dodecyloxy)-2-methyl-2,3-dihydro-1H-benzo[f]thiochromene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36N2OS
Net Charge0
Average Mass424.654
Monoisotopic Mass424.25483
SMILESCCCCCCCCCCCCOc1cc2ccccc2c2c1SCC(C)C2=[N+]=[N-]
InChIInChI=1S/C26H36N2OS/c1-3-4-5-6-7-8-9-10-11-14-17-29-23-18-21-15-12-13-16-22(21)24-25(28-27)20(2)19-30-26(23)24/h12-13,15-16,18,20H,3-11,14,17,19H2,1-2H3
InChIKeyVNEDSHIGCCOTEC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
1-Diazo-5-(dodecyloxy)-2-methyl-2,3-dihydro-1H-benzo[f]thiochromene (CHEBI:188729) is a thiochromane (CHEBI:50747)
IUPAC Name 
1-diazo-5-dodecoxy-2-methyl-2,3-dihydrobenzothiochromene
Manual XrefsDatabases
65327334ChemSpider