CHEBI:226420 - Ilyoresorcy A

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ChEBI Name Ilyoresorcy A
ChEBI ID CHEBI:226420
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H25ClO6
Net Charge 0
Average Mass 396.860
Monoisotopic Mass 396.13397
InChI InChI=1S/C20H25ClO6/c1-12-7-5-3-2-4-6-8-13(22)9-14(23)10-15-18(20(26)27-12)16(24)11-17(25)19(15)21/h3,5,11-13,22,24-25H,2,4,6-10H2,1H3/b5-3+/t12-,13+/m1/s1
InChIKey HFWXCJKSHYWBSP-CBSYICTRSA-N
SMILES ClC1=C(O)C=C(O)C2=C1CC(=O)C[C@@H](O)CCCCC=CC[C@H](OC2=O)C
Metabolite of Species Details
Ilyonectria (NCBI:txid1079112) See: PubMed
ChEBI Ontology
Outgoing Ilyoresorcy A (CHEBI:226420) is a macrolide (CHEBI:25106)
IUPAC Name
(4R,6E,12S)-17-chloro-12,18,20-trihydroxy-4-methyl-3-oxabicyclo[14.4.0]icosa-1(16),6,17,19-tetraene-2,14-dione