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CHEBI:202983 - Methylstictic acid

ChEBI IDCHEBI:202983
ChEBI NameMethylstictic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O9
Net Charge0
Average Mass400.339
Monoisotopic Mass400.07943
SMILESCOc1cc(C)c2c(c1C=O)Oc1c(c(C)c(O)c3c1[C@@H](OC)OC3=O)OC2=O
InChIInChI=1S/C20H16O9/c1-7-5-10(25-3)9(6-21)16-11(7)18(23)28-15-8(2)14(22)12-13(17(15)27-16)20(26-4)29-19(12)24/h5-6,20,22H,1-4H3/t20-/m0/s1
InChIKeyHQNHVWVEYNXZBJ-FQEVSTJZSA-N
Species of MetaboliteComponentSourceComments
Usneaspecies (ncbitaxon:2015053) - DOI (10.1016/s0031-9422(00)81987-1)
ChEBI Ontology
Outgoing Relation(s)
Methylstictic acid (CHEBI:202983) is a aromatic ether (CHEBI:35618)
IUPAC Name 
13-hydroxy-5,17-dimethoxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehyde
Manual XrefsDatabases
78434748ChemSpider