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CHEBI:200335 - Radianspene B

ChEBI IDCHEBI:200335
ChEBI NameRadianspene B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O5
Net Charge0
Average Mass376.493
Monoisotopic Mass376.22497
SMILESCC(=O)O[C@H]1C2=CC3=C(CO)C(=O)CC[C@@]3(C)CC[C@]2(C)[C@@H](C(C)C)[C@H]1O
InChIInChI=1S/C22H32O5/c1-12(2)18-19(26)20(27-13(3)24)16-10-15-14(11-23)17(25)6-7-21(15,4)8-9-22(16,18)5/h10,12,18-20,23,26H,6-9,11H2,1-5H3/t18-,19+,20-,21-,22-/m0/s1
InChIKeyRMTWHDQPUKBGIN-WIYBCGNWSA-N
Species of MetaboliteComponentSourceComments
Coprinus (ncbitaxon:5345) - PubMed (22521133)
ChEBI Ontology
Outgoing Relation(s)
Radianspene B (CHEBI:200335) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
[(1S,2R,3R,3aR,5aR)-2-hydroxy-9-(hydroxymethyl)-3a,5a-dimethyl-8-oxo-3-propan-2-yl-2,3,4,5,6,7-hexahydro-1H-benzo[g]azulen-1-yl] acetate
Manual XrefsDatabases
78442279ChemSpider