EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:226212 - (1R,3aS,9aR,11aR)-1,5-dihydroxy-6,6,9a,11a-tetramethyl-1,2,3a,7,8,9,10,11-octahydronaphtho[1,2-g][1]benzouran-4-one

ChEBI IDCHEBI:226212
ChEBI Name(1R,3aS,9aR,11aR)-1,5-dihydroxy-6,6,9a,11a-tetramethyl-1,2,3a,7,8,9,10,11-octahydronaphtho[1,2-g][1]benzouran-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESCC1(C)CCC[C@]2(C)C3=C(C(=O)C(O)=C12)[C@H]1OC[C@H](O)[C@@]1(C)CC3
InChIInChI=1S/C20H28O4/c1-18(2)7-5-8-19(3)11-6-9-20(4)12(21)10-24-17(20)13(11)14(22)15(23)16(18)19/h12,17,21,23H,5-10H2,1-4H3/t12-,17+,19+,20+/m0/s1
InChIKeyRGFGIXOZFFWSLD-YYTAETEZSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies S12 (ncbitaxon:556473) - DOI (10.1016/j.tetlet.2019.151045)
ChEBI Ontology
Outgoing Relation(s)
(1R,3aS,9aR,11aR)-1,5-dihydroxy-6,6,9a,11a-tetramethyl-1,2,3a,7,8,9,10,11-octahydronaphtho[1,2-g][1]benzouran-4-one (CHEBI:226212) is a oxo steroid (CHEBI:35789)
IUPAC Name 
(1R,3aS,9aR,11aR)-1,5-dihydroxy-6,6,9a,11a-tetramethyl-1,2,3a,7,8,9,10,11-octahydronaphtho[1,2-g][1]benzouran-4-one