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CHEBI:229875 - 2-hydroxy-3-[3-(3-methylbut-2-en-1-yl)-4-(sulfooxy)phenyl]propanoic acid

ChEBI IDCHEBI:229875
ChEBI Name2-hydroxy-3-[3-(3-methylbut-2-en-1-yl)-4-(sulfooxy)phenyl]propanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O7S
Net Charge0
Average Mass330.358
Monoisotopic Mass330.07732
SMILESCC(C)=CCc1cc(CC(O)C(=O)O)ccc1OS(=O)(=O)O
InChIInChI=1S/C14H18O7S/c1-9(2)3-5-11-7-10(8-12(15)14(16)17)4-6-13(11)21-22(18,19)20/h3-4,6-7,12,15H,5,8H2,1-2H3,(H,16,17)(H,18,19,20)
InChIKeyBJWLMQFXRQNZLN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
2-hydroxy-3-[3-(3-methylbut-2-en-1-yl)-4-(sulfooxy)phenyl]propanoic acid (CHEBI:229875) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
2-hydroxy-3-[3-(3-methylbut-2-enyl)-4-sulooxyphenyl]propanoic acid
Manual XrefsDatabases
74853223ChemSpider