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CHEBI:197919 - Daldinone B

ChEBI IDCHEBI:197919
ChEBI NameDaldinone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H12O6
Net Charge0
Average Mass348.310
Monoisotopic Mass348.06339
SMILESO=C1[C@@H](O)c2c(O)cc3c(c2[C@H]2O[C@@H]12)-c1ccc(O)c2c(O)ccc-3c12
InChIInChI=1S/C20H12O6/c21-9-3-1-6-8-5-11(23)15-16(19-20(26-19)18(25)17(15)24)13(8)7-2-4-10(22)14(9)12(6)7/h1-5,17,19-24H/t17-,19+,20-/m0/s1
InChIKeyXSPAHHKREJIGIX-SXLOBPIMSA-N
Species of MetaboliteComponentSourceComments
Daldinia concentrica (ncbitaxon:42361) - PubMed (12502330)
ChEBI Ontology
Outgoing Relation(s)
Daldinone B (CHEBI:197919) is a naphthols (CHEBI:25392)
IUPAC Name 
(4R,6R,8S)-8,10,16,18-tetrahydroxy-5-oxahexacyclo[11.7.1.02,12.03,9.04,6.017,21]henicosa-1(20),2,9,11,13(21),14,16,18-octaen-7-one
Manual XrefsDatabases
9957681ChemSpider