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CHEBI:216915 - Daldinone D

ChEBI IDCHEBI:216915
ChEBI NameDaldinone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O5
Net Charge0
Average Mass352.386
Monoisotopic Mass352.13107
SMILESCO[C@H]1CC[C@@H]2c3c(ccc(O)c31)[C@@]1(O)c3cccc(O)c3C(=O)C[C@@H]21
InChIInChI=1S/C21H20O5/c1-26-17-8-5-10-13-9-16(24)19-11(3-2-4-14(19)22)21(13,25)12-6-7-15(23)20(17)18(10)12/h2-4,6-7,10,13,17,22-23,25H,5,8-9H2,1H3/t10-,13-,17-,21-/m0/s1
InChIKeyKILVFQPOBUNVMF-PQYYAGPLSA-N
Species of MetaboliteComponentSourceComments
Hypoxylon (ncbitaxon:42308) - 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 D (CHEBI:216915) is a fluorenes (CHEBI:24059)
IUPAC Name 
(2R,11S,12S,15S)-2,7,17-trihydroxy-15-methoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),3(8),4,6,16,18-hexaen-9-one
Manual XrefsDatabases
17262758ChemSpider