CHEBI:208950 - Herbarumin-II

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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 Herbarumin-II
ChEBI ID CHEBI:208950
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H20O5
Net Charge 0
Average Mass 244.287
Monoisotopic Mass 244.13107
InChI InChI=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
InChIKey KQJGPGHQDDZVHJ-CJXQFTKGSA-N
SMILES O=C1O[C@@H]([C@@H](O)[C@@H](O)C=CCC[C@H]1O)CCC
Metabolite of Species Details
Phoma herbarum (NCBI:txid73001) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
78437378 ChemSpider
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