CHEBI:206648 - 4-keto-clonostachydiol

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 4-keto-clonostachydiol
ChEBI ID CHEBI:206648
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H20O6
Net Charge 0
Average Mass 284.308
Monoisotopic Mass 284.12599
InChI InChI=1S/C14H20O6/c1-9-3-4-11(15)5-7-14(18)20-10(2)12(16)6-8-13(17)19-9/h5-12,15-16H,3-4H2,1-2H3/b7-5+,8-6+/t9-,10-,11-,12+/m1/s1
InChIKey SSVNIYICRYPPEB-WHZDEVAFSA-N
SMILES O=C1O[C@@H]([C@@H](O)C=CC(=O)O[C@@H](CC[C@H](C=C1)O)C)C
ChEBI Ontology
Outgoing 4-keto-clonostachydiol (CHEBI:206648) is a macrolide (CHEBI:25106)
IUPAC Name
(3E,5S,6R,9E,11R,14R)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione
Manual Xref Database
8644505 ChemSpider
View more database links