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CHEBI:220332 - Phomolide G

ChEBI IDCHEBI:220332
ChEBI NamePhomolide G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20O5
Net Charge0
Average Mass244.287
Monoisotopic Mass244.13107
SMILESCCC[C@@H]1C[C@H](O)[C@@H](O)/C=C/[C@@H](O)CC(=O)O1
InChIInChI=1S/C12H20O5/c1-2-3-9-7-11(15)10(14)5-4-8(13)6-12(16)17-9/h4-5,8-11,13-15H,2-3,6-7H2,1H3/b5-4+/t8-,9-,10+,11+/m1/s1
InChIKeyPTCQELNOCBFIRX-VAVWPVAVSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies A123 (ncbitaxon:559193) - PubMed (26281194)
ChEBI Ontology
Outgoing Relation(s)
Phomolide G (CHEBI:220332) is a oxacycle (CHEBI:38104)
IUPAC Name 
(2R,4S,5S,6E,8S)-4,5,8-trihydroxy-2-propyl-2,3,4,5,8,9-hexahydrooxecin-10-one
Manual XrefsDatabases
29215169ChemSpider