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CHEBI:226613 - Brasilianoid L

ChEBI IDCHEBI:226613
ChEBI NameBrasilianoid L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30O6
Net Charge0
Average Mass426.509
Monoisotopic Mass426.20424
SMILESC=C1[C@@]2(C)C[C@H]3C(=C)[C@]4(C=CC(=O)OC4(C)C)CC[C@]3(C)[C@@]13C(=O)O[C@@H](C)[C@@]3(O)C2=O
InChIInChI=1S/C25H30O6/c1-13-16-12-21(6)14(2)24(19(28)30-15(3)25(24,29)18(21)27)22(16,7)10-11-23(13)9-8-17(26)31-20(23,4)5/h8-9,15-16,29H,1-2,10-12H2,3-7H3/t15-,16-,21+,22-,23-,24-,25+/m0/s1
InChIKeyYJDXBOGRIUMCLZ-ZLRFBPIASA-N
Species of MetaboliteComponentSourceComments
Penicillium brasilianum (ncbitaxon:104259) - DOI (10.1016/j.tet.2019.02.037)
ChEBI Ontology
Outgoing Relation(s)
Brasilianoid L (CHEBI:226613) is a pyranone (CHEBI:37963)
IUPAC Name 
(1R,2S,5R,7S,9R,11R,12S)-11-hydroxy-2,6',6',9,12-pentamethyl-6,15-dimethylidenespiro[13-oxatetracyclo[7.5.1.01,11.02,7]pentadecane-5,5'-pyran]-2',10,14-trione
Manual XrefsDatabases
71720030ChemSpider