CHEBI:205020 - Maristachone C

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 C
ChEBI ID CHEBI:205020
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H28O4
Net Charge 0
Average Mass 308.418
Monoisotopic Mass 308.19876
InChI InChI=1S/C18H28O4/c1-6-13-9-17(21)12(4)18(22-5)15(13)8-11(3)16(20)10-14(19)7-2/h9,11,14,19,21H,6-8,10H2,1-5H3
InChIKey XBTQSAVEBBVBMO-UHFFFAOYSA-N
SMILES O=C(C(CC1=C(OC)C(=C(O)C=C1CC)C)C)CC(O)CC
Metabolite of Species Details
Stachylidium (NCBI:txid796327) See: PubMed
ChEBI Ontology
Outgoing Maristachone C (CHEBI:205020) is a methoxybenzenes (CHEBI:51683)
Maristachone C (CHEBI:205020) is a phenols (CHEBI:33853)
IUPAC Name
1-(6-ethyl-4-hydroxy-2-methoxy-3-methylphenyl)-5-hydroxy-2-methylheptan-3-one
Manual Xref Database
29215548 ChemSpider
View more database links