CHEBI:221030 - 3-(3,6-dihydroxy-4,5-dimethoxycyclohexa-1,4-dien-1-yl)butan-2-one

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 3-(3,6-dihydroxy-4,5-dimethoxycyclohexa-1,4-dien-1-yl)butan-2-one
ChEBI ID CHEBI:221030
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H18O5
Net Charge 0
Average Mass 242.271
Monoisotopic Mass 242.11542
InChI InChI=1S/C12H18O5/c1-6(7(2)13)8-5-9(14)11(16-3)12(17-4)10(8)15/h5-6,9-10,14-15H,1-4H3
InChIKey UJZDFPDTYYDIPI-UHFFFAOYSA-N
SMILES O=C(C(C1=CC(O)C(OC)=C(C1O)OC)C)C
Metabolite of Species Details
Malbranchea (NCBI:txid5040) See: PubMed
ChEBI Ontology
Outgoing 3-(3,6-dihydroxy-4,5-dimethoxycyclohexa-1,4-dien-1-yl)butan-2-one (CHEBI:221030) is a secondary alcohol (CHEBI:35681)
IUPAC Name
3-(3,6-dihydroxy-4,5-dimethoxycyclohexa-1,4-dien-1-yl)butan-2-one
Manual Xref Database
78444211 ChemSpider
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