CHEBI:223624 - Pestaloficiol S

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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 Pestaloficiol S
ChEBI ID CHEBI:223624
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H16O2
Net Charge 0
Average Mass 228.291
Monoisotopic Mass 228.11503
InChI InChI=1S/C15H16O2/c1-10(2)5-6-11-7-8-13(16)14-12(11)9-15(3,4)17-14/h7-8,16H,1,9H2,2-4H3
InChIKey OXUABLGHDLQARM-UHFFFAOYSA-N
SMILES O1C2=C(O)C=CC(=C2CC1(C)C)C#CC(=C)C
Metabolite of Species Details
Pestalotiopsis fici (NCBI:txid393283) See: PubMed
ChEBI Ontology
Outgoing Pestaloficiol S (CHEBI:223624) is a 1-benzofurans (CHEBI:38830)
IUPAC Name
2,2-dimethyl-4-(3-methylbut-3-en-1-ynyl)-3H-1-benzouran-7-ol
Manual Xref Database
78434918 ChemSpider
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