EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:211678 - Dalesconol C

ChEBI IDCHEBI:211678
ChEBI NameDalesconol C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H18O8
Net Charge0
Average Mass494.455
Monoisotopic Mass494.10017
SMILESO=C1C[C@@H]2CC(=O)c3c(O)cc(O)cc3[C@]23C(=C2C=CC(=O)c4c(O)cc(O)c3c42)c2cccc(O)c21
InChIInChI=1S/C29H18O8/c30-12-8-15-25(20(35)9-12)19(34)7-11-6-18(33)23-13(2-1-3-16(23)31)27-14-4-5-17(32)26-21(36)10-22(37)28(24(14)26)29(11,15)27/h1-5,8-11,30-31,35-37H,6-7H2/t11-,29+/m1/s1
InChIKeyQLGYDICHGCFAJK-BFHBOCCVSA-N
Species of MetaboliteComponentSourceComments
Daldinia eschscholtzii (ncbitaxon:292717) - PubMed (21434637)
ChEBI Ontology
Outgoing Relation(s)
Dalesconol C (CHEBI:211678) is a tetralins (CHEBI:36786)
IUPAC Name 
(2S,11R)-5,7,15,26,28-pentahydroxyheptacyclo[19.7.1.02,11.02,20.03,8.014,19.025,29]nonacosa-1(28),3(8),4,6,14(19),15,17,20,22,25(29),26-undecaene-9,13,24-trione
Manual XrefsDatabases
78440475ChemSpider