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CHEBI:199904 - Radianspene C

ChEBI IDCHEBI:199904
ChEBI NameRadianspene C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILESCC(C)[C@H]1[C@@H](O)[C@@H](O)C2=CC3=C(CO)C(=O)CC[C@@]3(C)CC[C@@]21C
InChIInChI=1S/C20H30O4/c1-11(2)16-18(24)17(23)14-9-13-12(10-21)15(22)5-6-19(13,3)7-8-20(14,16)4/h9,11,16-18,21,23-24H,5-8,10H2,1-4H3/t16-,17-,18+,19-,20-/m0/s1
InChIKeyOTUPIQJUQWGDQX-KNJMJIDISA-N
Species of MetaboliteComponentSourceComments
Coprinus (ncbitaxon:5345) - PubMed (22521133)
ChEBI Ontology
Outgoing Relation(s)
Radianspene C (CHEBI:199904) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1S,2R,3R,3aR,5aR)-1,2-dihydroxy-9-(hydroxymethyl)-3a,5a-dimethyl-3-propan-2-yl-2,3,4,5,6,7-hexahydro-1H-benzo[]azulen-8-one
Manual XrefsDatabases
32742601ChemSpider