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CHEBI:208950 - Herbarumin-II

ChEBI IDCHEBI:208950
ChEBI NameHerbarumin-II
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20O5
Net Charge0
Average Mass244.287
Monoisotopic Mass244.13107
SMILESCCC[C@H]1OC(=O)[C@H](O)CC/C=C\[C@H](O)[C@@H]1O
InChIInChI=1S/C12H20O5/c1-2-5-10-11(15)8(13)6-3-4-7-9(14)12(16)17-10/h3,6,8-11,13-15H,2,4-5,7H2,1H3/b6-3-/t8-,9+,10+,11-/m0/s1
InChIKeyKQJGPGHQDDZVHJ-CJXQFTKGSA-N
Species of MetaboliteComponentSourceComments
Phoma herbarum (ncbitaxon:73001) - DOI (10.1016/s0040-4020(00)00469-5)
ChEBI Ontology
Outgoing Relation(s)
Herbarumin-II (CHEBI:208950) is a oxacycle (CHEBI:38104)
IUPAC Name 
(2R,3S,4S,5Z,9R)-3,4,9-trihydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one
Manual XrefsDatabases
78437378ChemSpider