CHEBI:197986 - Cladospolide B

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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 Cladospolide B
ChEBI ID CHEBI:197986
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H20O4
Net Charge 0
Average Mass 228.288
Monoisotopic Mass 228.13616
InChI InChI=1S/C12H20O4/c1-9-5-3-2-4-6-10(13)11(14)7-8-12(15)16-9/h7-11,13-14H,2-6H2,1H3/b8-7-/t9-,10+,11+/m1/s1
InChIKey PLHJPQNLCWFPFY-DCOWIPOFSA-N
SMILES O=C1O[C@@H](CCCCC[C@@H]([C@H](C=C1)O)O)C
ChEBI Ontology
Outgoing Cladospolide B (CHEBI:197986) is a macrolide (CHEBI:25106)
IUPAC Name
(3Z,5S,6S,12R)-5,6-dihydroxy-12-methyl-1-oxacyclododec-3-en-2-one
Manual Xref Database
4946423 ChemSpider
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