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CHEBI:213471 - Phomopsinin B

ChEBI IDCHEBI:213471
ChEBI NamePhomopsinin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O8
Net Charge0
Average Mass338.312
Monoisotopic Mass338.10017
SMILESCOC(=O)c1cc(OC)c2c(c1O)OC[C@H]([C@H](O)CC(C)=O)C2=O
InChIInChI=1S/C16H18O8/c1-7(17)4-10(18)9-6-24-15-12(13(9)19)11(22-2)5-8(14(15)20)16(21)23-3/h5,9-10,18,20H,4,6H2,1-3H3/t9-,10-/m1/s1
InChIKeyCPKWWLAIWAXHRC-NXEZZACHSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - PubMed (32757200)
ChEBI Ontology
Outgoing Relation(s)
Phomopsinin B (CHEBI:213471) is a chromones (CHEBI:23238)
IUPAC Name 
methyl (3R)-8-hydroxy-3-[(1R)-1-hydroxy-3-oxobutyl]-5-methoxy-4-oxo-2,3-dihydrochromene-7-carboxylate