CHEBI:203001 - Pestaloficiol Q

ChEBI IDCHEBI:203001
ChEBI NamePestaloficiol Q
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SubmitterMetaboLights
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FormulaC18H24O5
Net Charge0
Average Mass320.385
Monoisotopic Mass320.16237
SMILESCC(=O)OC1=C2C[C@H](O)C(=O)C(CC=C(C)C)=C2OC(C)(C)C1
InChIInChI=1S/C18H24O5/c1-10(2)6-7-12-16(21)14(20)8-13-15(22-11(3)19)9-18(4,5)23-17(12)13/h6,14,20H,7-9H2,1-5H3/t14-/m0/s1
InChIKeyQOWLJPDMUSNARC-AWEZNQCLSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis fici (ncbitaxon:393283) - PubMed (23353656)
ChEBI Ontology
Outgoing Relation(s)
Pestaloficiol Q (CHEBI:203001) is a benzopyran (CHEBI:22727)
IUPAC Name 
[(6S)-6-hydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)-7-oxo-5,6-dihydro-3H-chromen-4-yl] acetate
Manual XrefsDatabases
28637878ChemSpider