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CHEBI:208485 - Daldinone C

ChEBI IDCHEBI:208485
ChEBI NameDaldinone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O5
Net Charge0
Average Mass336.343
Monoisotopic Mass336.09977
SMILESO=C1C[C@H]2[C@@H]3CCC(=O)c4c(O)ccc(c43)[C@@]2(O)c2cccc(O)c21
InChIInChI=1S/C20H16O5/c21-13-3-1-2-10-18(13)16(24)8-12-9-4-6-14(22)19-15(23)7-5-11(17(9)19)20(10,12)25/h1-3,5,7,9,12,21,23,25H,4,6,8H2/t9-,12-,20-/m0/s1
InChIKeyOYRYUFABCKQXTO-TVLKGPQESA-N
Species of MetaboliteComponentSourceComments
Daldinia eschscholtzii (ncbitaxon:292717) - PubMed (17253861)
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
Daldinone C (CHEBI:208485) is a fluorenes (CHEBI:24059)
IUPAC Name 
(2R,11S,12S)-2,7,17-trihydroxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),3(8),4,6,16,18-hexaene-9,15-dione
Manual XrefsDatabases
17262759ChemSpider