CHEBI:228130 - (+)-pestalachloride F

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ChEBI Name (+)-pestalachloride F
ChEBI ID CHEBI:228130
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H20Cl2O5
Net Charge 0
Average Mass 423.290
Monoisotopic Mass 422.06878
InChI InChI=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-/m1/s1
InChIKey DBCXEFKSOPPSEW-QLJPJBMISA-N
SMILES ClC1=C(OC)C(=C(O)C(=C1C)Cl)[C@H]2C3=C(C(O)=CC(=C3C[C@@H]2C(=C)C)O)C=O
Metabolite of Species Details
Pestalotiopsis (NCBI:txid37840) See: DOI
ChEBI Ontology
Outgoing (+)-pestalachloride F (CHEBI:228130) is a methoxybenzenes (CHEBI:51683)
(+)-pestalachloride F (CHEBI:228130) is a phenols (CHEBI:33853)
IUPAC Name
(2S,3R)-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
Manual Xref Database
58196908 ChemSpider
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