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CHEBI:198983 - (4R,8R,16R,18R)-2,4,16,18-tetrahydroxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14(19)-pentaen-20-one

ChEBI IDCHEBI:198983
ChEBI Name(4R,8R,16R,18R)-2,4,16,18-tetrahydroxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14(19)-pentaen-20-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H14O8
Net Charge0
Average Mass346.291
Monoisotopic Mass346.06887
SMILESO=c1c2c(oc3cc4c(c(O)c13)[C@]1(O)C=CO[C@@H]1O4)C[C@H](O)C[C@H]2O
InChIInChI=1S/C17H14O8/c18-6-3-7(19)11-8(4-6)24-9-5-10-13(15(21)12(9)14(11)20)17(22)1-2-23-16(17)25-10/h1-2,5-7,16,18-19,21-22H,3-4H2/t6-,7-,16-,17-/m1/s1
InChIKeyQVZBCABQLGQQHB-FSFKILTBSA-N
Species of MetaboliteComponentSourceComments
Aschersonia (ncbitaxon:100986) - DOI (10.1016/j.tet.2012.07.059)
ChEBI Ontology
Outgoing Relation(s)
(4R,8R,16R,18R)-2,4,16,18-tetrahydroxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14(19)-pentaen-20-one (CHEBI:198983) is a xanthones (CHEBI:51149)
IUPAC Name 
(4R,8R,16R,18R)-2,4,16,18-tetrahydroxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14(19)-pentaen-20-one
Manual XrefsDatabases
78436438ChemSpider