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CHEBI:193888 - 2-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-2-(sulfooxy)acetic acid

ChEBI IDCHEBI:193888
ChEBI Name2-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-2-(sulfooxy)acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O9S
Net Charge0
Average Mass362.356
Monoisotopic Mass362.06715
SMILESCOc1c(CC=C(C)C)c(O)cc(O)c1C(OS(=O)(=O)O)C(=O)O
InChIInChI=1S/C14H18O9S/c1-7(2)4-5-8-9(15)6-10(16)11(12(8)22-3)13(14(17)18)23-24(19,20)21/h4,6,13,15-16H,5H2,1-3H3,(H,17,18)(H,19,20,21)
InChIKeySTOVQMXFUWEDMB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
ChEBI Ontology
Outgoing Relation(s)
2-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-2-(sulfooxy)acetic acid (CHEBI:193888) is a methoxybenzenes (CHEBI:51683)
2-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-2-(sulfooxy)acetic acid (CHEBI:193888) is a phenols (CHEBI:33853)
IUPAC Name 
2-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-2-sulooxyacetic acid
Manual XrefsDatabases
74851726ChemSpider