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CHEBI:205802 - Herbarumin III

ChEBI IDCHEBI:205802
ChEBI NameHerbarumin III
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20O3
Net Charge0
Average Mass212.289
Monoisotopic Mass212.14124
SMILESCCC[C@@H]1C[C@@H](O)/C=C/CCCC(=O)O1
InChIInChI=1S/C12H20O3/c1-2-6-11-9-10(13)7-4-3-5-8-12(14)15-11/h4,7,10-11,13H,2-3,5-6,8-9H2,1H3/b7-4+/t10-,11+/m0/s1
InChIKeyIWZXZFNLDPFUKQ-NAJRYUOPSA-N
Species of MetaboliteComponentSourceComments
Phoma herbarum (ncbitaxon:73001) - PubMed (12713403)
ChEBI Ontology
Outgoing Relation(s)
Herbarumin III (CHEBI:205802) is a oxacycle (CHEBI:38104)
IUPAC Name 
(2R,4R,5E)-4-hydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one
Manual XrefsDatabases
558794ChemSpider