CHEBI:214943 - Balticolid

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 Balticolid
ChEBI ID CHEBI:214943
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H16O4
Net Charge 0
Average Mass 224.256
Monoisotopic Mass 224.10486
InChI InChI=1S/C12H16O4/c1-9-4-2-5-10(13)6-3-7-11(14)8-12(15)16-9/h2-3,5,7,9,11,14H,4,6,8H2,1H3/b5-2-,7-3-/t9-,11+/m1/s1
InChIKey BKNQGBKAJUUPBQ-PFQYDCLVSA-N
SMILES O=C1O[C@@H](CC=CC(=O)CC=C[C@@H](C1)O)C
ChEBI Ontology
Outgoing Balticolid (CHEBI:214943) is a macrolide (CHEBI:25106)
IUPAC Name
(4R,5Z,9Z,12R)-4-hydroxy-12-methyl-1-oxacyclododeca-5,9-diene-2,8-dione
Manual Xref Database
78437528 ChemSpider
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