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CHEBI:226166 - Pestalotioquinol F

ChEBI IDCHEBI:226166
ChEBI NamePestalotioquinol F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O5
Net Charge0
Average Mass372.461
Monoisotopic Mass372.19367
SMILESC=C(C#Cc1cc(C(=O)O)ccc1O)CC/C=C(\C)CC[C@H](O)C(C)(C)O
InChIInChI=1S/C22H28O5/c1-15(6-5-7-16(2)9-13-20(24)22(3,4)27)8-10-17-14-18(21(25)26)11-12-19(17)23/h7,11-12,14,20,23-24,27H,1,5-6,9,13H2,2-4H3,(H,25,26)/b16-7+/t20-/m0/s1
InChIKeyBCODWWPXQBHVJV-QDGSLSSCSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis neglecta (ncbitaxon:173184) - PubMed (32283019)
ChEBI Ontology
Outgoing Relation(s)
Pestalotioquinol F (CHEBI:226166) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
3-[(E,10S)-10,11-dihydroxy-7,11-dimethyl-3-methylidenedodec-6-en-1-ynyl]-4-hydroxybenzoic acid
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85696890ChemSpider