CHEBI:181276 - 1-[4,5-Bis(hydroxymethyl)-3-methoxy-2-methylphenoxy]-3-methylbutane-2,3-diol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name 1-[4,5-Bis(hydroxymethyl)-3-methoxy-2-methylphenoxy]-3-methylbutane-2,3-diol
ChEBI ID CHEBI:181276
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H24O6
Net Charge 0
Average Mass 300.351
Monoisotopic Mass 300.15729
InChI InChI=1S/C15H24O6/c1-9-12(21-8-13(18)15(2,3)19)5-10(6-16)11(7-17)14(9)20-4/h5,13,16-19H,6-8H2,1-4H3
InChIKey MAQMWSUGBCIGLJ-UHFFFAOYSA-N
SMILES O(CC(O)C(O)(C)C)C1=C(C(OC)=C(C(=C1)CO)CO)C
ChEBI Ontology
Outgoing 1-[4,5-Bis(hydroxymethyl)-3-methoxy-2-methylphenoxy]-3-methylbutane-2,3-diol (CHEBI:181276) is a benzyl alcohols (CHEBI:22743)
IUPAC Name
1-[4,5-bis(hydroxymethyl)-3-methoxy-2-methylphenoxy]-3-methylbutane-2,3-diol
Manual Xref Database
8555493 ChemSpider
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