CHEBI:181000 - h_81_Zeranol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name h_81_Zeranol
ChEBI ID CHEBI:181000
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H26O5
Net Charge 0
Average Mass 322.401
Monoisotopic Mass 322.17802
InChI InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14?/m0/s1
InChIKey DWTTZBARDOXEAM-NBFOIZRFSA-N
SMILES OC1CCCCCC2=C(C(O[C@H](CCC1)C)=O)C(O)=CC(O)=C2
ChEBI Ontology
Outgoing h_81_Zeranol (CHEBI:181000) is a macrolide (CHEBI:25106)
IUPAC Name
(4S)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-2-one
Manual Xref Database
30936 ChemSpider
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