CHEBI:199502 - Selesconol

ChEBI IDCHEBI:199502
ChEBI NameSelesconol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H18O6
Net Charge0
Average Mass462.457
Monoisotopic Mass462.11034
SMILESO=C1CC2CC(=O)c3c(O)ccc4c3C2C(=C2C=CC(=O)c3c(O)ccc-4c32)c2cccc(O)c21
InChIInChI=1S/C29H18O6/c30-17-3-1-2-15-25-16-6-9-19(32)28-18(31)7-4-13(24(16)28)14-5-8-20(33)29-22(35)11-12(23(25)27(14)29)10-21(34)26(15)17/h1-9,12,23,30-31,33H,10-11H2
InChIKeyCGAKGJOUWCSJFA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Daldinia eschscholzii IFB-TL01 (ncbitaxon:1169046) - PubMed (27739305)
ChEBI Ontology
Outgoing Relation(s)
Selesconol (CHEBI:199502) is a tetralins (CHEBI:36786)
IUPAC Name 
7,14,22-trihydroxyheptacyclo[13.11.2.12,6.011,28.018,27.021,26.010,29]nonacosa-1,3,6,8,10(29),11(28),12,14,21(26),22,24-undecaene-5,16,20-trione
Manual XrefsDatabases
78435332ChemSpider