CHEBI:204692 - Maristachone A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Maristachone A
ChEBI ID CHEBI:204692
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H18O4
Net Charge 0
Average Mass 226.272
Monoisotopic Mass 226.12051
InChI InChI=1S/C12H18O4/c1-7-11(14)5-9(8(2)13)10(6-15-3)12(7)16-4/h5,8,13-14H,6H2,1-4H3/t8-/m0/s1
InChIKey VGUIDVOAJKITDB-QMMMGPOBSA-N
SMILES O(C1=C(C(=CC(=C1C)O)[C@@H](O)C)COC)C
Metabolite of Species Details
Stachylidium (NCBI:txid796327) See: PubMed
ChEBI Ontology
Outgoing Maristachone A (CHEBI:204692) is a methoxybenzenes (CHEBI:51683)
Maristachone A (CHEBI:204692) is a phenols (CHEBI:33853)
IUPAC Name
5-(1-hydroxyethyl)-3-methoxy-4-(methoxymethyl)-2-methylphenol
Manual Xref Database
29215546 ChemSpider
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