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CHEBI:222573 - Pestalotioquinol A

ChEBI IDCHEBI:222573
ChEBI NamePestalotioquinol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O4
Net Charge0
Average Mass344.451
Monoisotopic Mass344.19876
SMILESC=C(C#Cc1cc(O)ccc1O)CCC=C(C)CC[C@H](O)C(C)(C)O
InChIInChI=1S/C21H28O4/c1-15(8-10-17-14-18(22)11-12-19(17)23)6-5-7-16(2)9-13-20(24)21(3,4)25/h7,11-12,14,20,22-25H,1,5-6,9,13H2,2-4H3/t20-/m0/s1
InChIKeyUVWZKTRXHDNBIV-FQEVSTJZSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis microspora (ncbitaxon:85828) - PubMed (31341274)
ChEBI Ontology
Outgoing Relation(s)
Pestalotioquinol A (CHEBI:222573) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2-[(10S)-10,11-dihydroxy-7,11-dimethyl-3-methylidenedodec-6-en-1-ynyl]benzene-1,4-diol