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CHEBI:226215 - (1R,3aS,9aR,11aR)-1,5-dihydroxy-6,6,9a,11a-tetramethyl-2,3a,8,9,10,11-hexahydro-1H-naphtho[1,2-g][1]benzouran-4,7-dione

ChEBI IDCHEBI:226215
ChEBI Name(1R,3aS,9aR,11aR)-1,5-dihydroxy-6,6,9a,11a-tetramethyl-2,3a,8,9,10,11-hexahydro-1H-naphtho[1,2-g][1]benzouran-4,7-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O5
Net Charge0
Average Mass346.423
Monoisotopic Mass346.17802
SMILESCC1(C)C(=O)CC[C@]2(C)C3=C(C(=O)C(O)=C12)[C@H]1OC[C@H](O)[C@@]1(C)CC3
InChIInChI=1S/C20H26O5/c1-18(2)11(21)6-8-19(3)10-5-7-20(4)12(22)9-25-17(20)13(10)14(23)15(24)16(18)19/h12,17,22,24H,5-9H2,1-4H3/t12-,17+,19+,20+/m0/s1
InChIKeyRXRLHNVDQVEWTP-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-2,3a,8,9,10,11-hexahydro-1H-naphtho[1,2-g][1]benzouran-4,7-dione (CHEBI:226215) is a oxo steroid (CHEBI:35789)
IUPAC Name 
(1R,3aS,9aR,11aR)-1,5-dihydroxy-6,6,9a,11a-tetramethyl-2,3a,8,9,10,11-hexahydro-1H-naphtho[1,2-g][1]benzouran-4,7-dione