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CHEBI:227851 - 5′-hydroxypenisimplicibetain

ChEBI IDCHEBI:227851
ChEBI Name5′-hydroxypenisimplicibetain
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H14O7
Net Charge0
Average Mass318.281
Monoisotopic Mass318.07395
SMILESCOc1cc(OC)c2c(c1)C(=O)O[C@H]2c1coc(C)c(O)c1=O
InChIInChI=1S/C16H14O7/c1-7-13(17)14(18)10(6-22-7)15-12-9(16(19)23-15)4-8(20-2)5-11(12)21-3/h4-6,15,17H,1-3H3/t15-/m0/s1
InChIKeyLAHRZGCPSGPXQO-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies HN29-3B1 (ncbitaxon:1426912) - PubMed (25116120)
ChEBI Ontology
Outgoing Relation(s)
5′-hydroxypenisimplicibetain (CHEBI:227851) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3R)-3-(5-hydroxy-6-methyl-4-oxopyran-3-yl)-4,6-dimethoxy-3H-2-benzouran-1-one
Manual XrefsDatabases
78438381ChemSpider