CHEBI:204776 - Graphilide

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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 Graphilide
ChEBI ID CHEBI:204776
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H18O5
Net Charge 0
Average Mass 266.293
Monoisotopic Mass 266.11542
InChI InChI=1S/C14H18O5/c15-11-7-5-3-1-2-4-6-8-12(14(17)18)19-13(16)10-9-11/h1-2,5,7,9-12,15H,3-4,6,8H2,(H,17,18)/b2-1+,7-5-,10-9?/t11?,12-/m0/s1
InChIKey JHXMICLCFPBALC-WDYKEJGFSA-N
SMILES O=C1O[C@H](C(=O)O)CCCC=CCC=CC(C=C1)O
Metabolite of Species Details
Graphis vestitoides (NCBI:txid996894) See: PubMed
ChEBI Ontology
Outgoing Graphilide (CHEBI:204776) is a macrolide (CHEBI:25106)
IUPAC Name
(2S,6E,9Z)-11-hydroxy-14-oxo-1-oxacyclotetradeca-6,9,12-triene-2-carboxylic acid