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CHEBI:209453 - Daldinolide A

ChEBI IDCHEBI:209453
ChEBI NameDaldinolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18O7
Net Charge0
Average Mass346.335
Monoisotopic Mass346.10525
SMILESCOc1cc(C)cc([C@@]2(O)OC(=O)c3c(OC)cc(O)cc32)c1OC
InChIInChI=1S/C18H18O7/c1-9-5-12(16(24-4)14(6-9)23-3)18(21)11-7-10(19)8-13(22-2)15(11)17(20)25-18/h5-8,19,21H,1-4H3/t18-/m0/s1
InChIKeyRMNOGZNNJGVWOO-SFHVURJKSA-N
Species of MetaboliteComponentSourceComments
Daldinia concentrica (ncbitaxon:42361) - PubMed (29715021)
ChEBI Ontology
Outgoing Relation(s)
Daldinolide A (CHEBI:209453) is a benzofurans (CHEBI:35259)
IUPAC Name 
3-(2,3-dimethoxy-5-methylphenyl)-3,5-dihydroxy-7-methoxy-2-benzouran-1-one
Manual XrefsDatabases
78435239ChemSpider