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CHEBI:220955 - Pestaloficiol U

ChEBI IDCHEBI:220955
ChEBI NamePestaloficiol U
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H33ClO9
Net Charge0
Average Mass609.071
Monoisotopic Mass608.18131
SMILESCOC(=O)c1cc(OC)c(Cl)c(O)c1C(=O)c1c(O)cc(C)c(C2=CC(C)(C)Oc3c(CC=C(C)C)cc(O)cc32)c1O
InChIInChI=1S/C33H33ClO9/c1-15(2)8-9-17-11-18(35)12-19-21(14-33(4,5)43-31(17)19)24-16(3)10-22(36)26(28(24)37)29(38)25-20(32(40)42-7)13-23(41-6)27(34)30(25)39/h8,10-14,35-37,39H,9H2,1-7H3
InChIKeyYZQIHIQIUVBGNF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis fici (ncbitaxon:393283) - PubMed (27015125)
ChEBI Ontology
Outgoing Relation(s)
Pestaloficiol U (CHEBI:220955) is a neoflavonoid (CHEBI:71971)
IUPAC Name 
methyl 4-chloro-2-[2,6-dihydroxy-3-[6-hydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-4-yl]-4-methylbenzoyl]-3-hydroxy-5-methoxybenzoate
Manual XrefsDatabases
78435674ChemSpider