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CHEBI:228131 - (-)-pestalachloride F

ChEBI IDCHEBI:228131
ChEBI Name(-)-pestalachloride F
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SubmitterMetaboLights
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FormulaC21H20Cl2O5
Net Charge0
Average Mass423.292
Monoisotopic Mass422.06878
SMILESC=C(C)[C@@H]1Cc2c(O)cc(O)c(C=O)c2[C@H]1c1c(O)c(Cl)c(C)c(Cl)c1OC
InChIInChI=1S/C21H20Cl2O5/c1-8(2)10-5-11-13(25)6-14(26)12(7-24)15(11)16(10)17-20(27)18(22)9(3)19(23)21(17)28-4/h6-7,10,16,25-27H,1,5H2,2-4H3/t10-,16-/m0/s1
InChIKeyDBCXEFKSOPPSEW-QFYYESIMSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - DOI (10.1039/c6ra00374e)
ChEBI Ontology
Outgoing Relation(s)
(-)-pestalachloride F (CHEBI:228131) is a methoxybenzenes (CHEBI:51683)
(-)-pestalachloride F (CHEBI:228131) is a phenols (CHEBI:33853)
IUPAC Name 
(2R,3S)-3-(3,5-dichloro-2-hydroxy-6-methoxy-4-methylphenyl)-5,7-dihydroxy-2-prop-1-en-2-yl-2,3-dihydro-1H-indene-4-carbaldehyde
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58196909ChemSpider