EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209679 - Rhodocorane A

ChEBI IDCHEBI:209679
ChEBI NameRhodocorane A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O5
Net Charge0
Average Mass280.320
Monoisotopic Mass280.13107
SMILESCc1cc([C@]23OC[C@@H](C)[C@H]2C[C@H](O)[C@H]3C)oc(=O)c1O
InChIInChI=1S/C15H20O5/c1-7-4-12(20-14(18)13(7)17)15-9(3)11(16)5-10(15)8(2)6-19-15/h4,8-11,16-17H,5-6H2,1-3H3/t8-,9-,10-,11+,15-/m1/s1
InChIKeyKMNBURIPCCDPIF-JAPZVGMSSA-N
Species of MetaboliteComponentSourceComments
Rhodotus palmatus (ncbitaxon:71920) - PubMed (31008606)
ChEBI Ontology
Outgoing Relation(s)
Rhodocorane A (CHEBI:209679) is a pyranone (CHEBI:37963)
IUPAC Name 
6-[(3S,3aR,5S,6R,6aS)-5-hydroxy-3,6-dimethyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]uran-6a-yl]-3-hydroxy-4-methylpyran-2-one