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CHEBI:226861 - Orbiochromone A

ChEBI IDCHEBI:226861
ChEBI NameOrbiochromone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O7
Net Charge0
Average Mass320.297
Monoisotopic Mass320.08960
SMILESCOC(=O)[C@]1([C@H]2OC(=O)C[C@H]2C)CC(=O)c2c(O)cccc2O1
InChIInChI=1S/C16H16O7/c1-8-6-12(19)22-14(8)16(15(20)21-2)7-10(18)13-9(17)4-3-5-11(13)23-16/h3-5,8,14,17H,6-7H2,1-2H3/t8-,14+,16-/m1/s1
InChIKeyQOBIDOOHIOXPIA-FWTOCNMZSA-N
Species of MetaboliteComponentSourceComments
Orbiocrella (ncbitaxon:1105339) - DOI (10.1016/j.tet.2019.130646)
ChEBI Ontology
Outgoing Relation(s)
Orbiochromone A (CHEBI:226861) is a chromones (CHEBI:23238)
IUPAC Name 
methyl (2R)-5-hydroxy-2-[(2S,3R)-3-methyl-5-oxooxolan-2-yl]-4-oxo-3H-chromene-2-carboxylate