CHEBI:204580 - Scalbucillin B

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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 Scalbucillin B
ChEBI ID CHEBI:204580
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H16O4
Net Charge 0
Average Mass 248.278
Monoisotopic Mass 248.10486
InChI InChI=1S/C14H16O4/c1-3-4-5-6-12(16)11-7-10(9-15)14(18-2)8-13(11)17/h3-8,15,17H,9H2,1-2H3/b4-3+,6-5+
InChIKey QPLOCASDJXLMMD-VNKDHWASSA-N
SMILES O=C(C1=C(O)C=C(OC)C(=C1)CO)/C=C/C=C/C
Metabolite of Species Details
Scytalidium (NCBI:txid5538) See: PubMed
ChEBI Ontology
Outgoing Scalbucillin B (CHEBI:204580) is a methoxybenzenes (CHEBI:51683)
Scalbucillin B (CHEBI:204580) is a phenols (CHEBI:33853)
IUPAC Name
(2E,4E)-1-[2-hydroxy-5-(hydroxymethyl)-4-methoxyphenyl]hexa-2,4-dien-1-one
Manual Xref Database
78435457 ChemSpider
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