CHEBI:182494 - (3E,5R,6S,7R,18S)-5,6,7-Trihydroxy-18-methyl-1-oxacyclooctadec-3-en-2-one

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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 (3E,5R,6S,7R,18S)-5,6,7-Trihydroxy-18-methyl-1-oxacyclooctadec-3-en-2-one
ChEBI ID CHEBI:182494
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H32O5
Net Charge 0
Average Mass 328.449
Monoisotopic Mass 328.22497
InChI InChI=1S/C18H32O5/c1-14-10-8-6-4-2-3-5-7-9-11-15(19)18(22)16(20)12-13-17(21)23-14/h12-16,18-20,22H,2-11H2,1H3/b13-12+/t14-,15+,16+,18-/m0/s1
InChIKey KECCBFYFEOTIBV-KHDHUXSVSA-N
SMILES O[C@@H]1CCCCCCCCCC[C@@H](OC(=O)C=C[C@@H](O)[C@H]1O)C
ChEBI Ontology
Outgoing (3E,5R,6S,7R,18S)-5,6,7-Trihydroxy-18-methyl-1-oxacyclooctadec-3-en-2-one (CHEBI:182494) is a macrolide (CHEBI:25106)
IUPAC Name
(3E,5R,6S,7R,18S)-5,6,7-trihydroxy-18-methyl-1-oxacyclooctadec-3-en-2-one
Manual Xref Database
9998299 ChemSpider
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