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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name 2-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-2-(sulfooxy)acetic acid
ChEBI ID CHEBI:193888
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H18O9S
Net Charge 0
Average Mass 362.350
Monoisotopic Mass 362.06715
InChI InChI=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)
InChIKey STOVQMXFUWEDMB-UHFFFAOYSA-N
SMILES S(OC(C=1C(OC)=C(CC=C(C)C)C(O)=CC1O)C(O)=O)(O)(=O)=O
Metabolite of Species Details
mock community culture Found in Whole Organism (NCIT:C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
74851726 ChemSpider
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