EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:188510 - sulfoalkylresorcinol

ChEBI IDCHEBI:188510
ChEBI Namesulfoalkylresorcinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H40O6S
Net Charge0
Average Mass444.634
Monoisotopic Mass444.25456
SMILESCCCCC[C@@H](CCCCCCCCCCCc1cc(O)cc(O)c1)OS(=O)(=O)O
InChIInChI=1S/C23H40O6S/c1-2-3-11-15-23(29-30(26,27)28)16-13-10-8-6-4-5-7-9-12-14-20-17-21(24)19-22(25)18-20/h17-19,23-25H,2-16H2,1H3,(H,26,27,28)/t23-/m0/s1
InChIKeyQULBNEORQUDTJJ-QHCPKHFHSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
Zygosporium (ncbitaxon:2016719) - PubMed (18503198)
ChEBI Ontology
Outgoing Relation(s)
sulfoalkylresorcinol (CHEBI:188510) is a resorcinols (CHEBI:33572)
IUPAC Names 
[(6S)-17-(3,5-dihydroxyphenyl)heptadecan-6-yl] hydrogen sulate
(6R)-17-(3,5-dihydroxyphenyl)heptadecane-6-sulonic acid
Manual XrefsDatabases
27023724ChemSpider