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CHEBI:208938 - Brasilianoid F

ChEBI IDCHEBI:208938
ChEBI NameBrasilianoid F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O7
Net Charge0
Average Mass444.524
Monoisotopic Mass444.21480
SMILESC=C1[C@@]2(C)C[C@H]3[C@]4(C)[C@H](O)[C@@H]5C[C@@](C)(OC5=O)[C@H]4CC[C@]3(C)[C@@]13C(=O)O[C@H](C)[C@@]3(O)C2=O
InChIInChI=1S/C25H32O7/c1-11-20(3)10-15-21(4,24(11)19(29)31-12(2)25(24,30)18(20)28)8-7-14-22(5)9-13(17(27)32-22)16(26)23(14,15)6/h12-16,26,30H,1,7-10H2,2-6H3/t12-,13+,14-,15-,16-,20-,21+,22-,23-,24+,25-/m1/s1
InChIKeyXHPPOQJGQXKMJQ-KUERZOFBSA-N
Species of MetaboliteComponentSourceComments
Penicillium brasilianum (ncbitaxon:104259) - PubMed (30101144)
ChEBI Ontology
Outgoing Relation(s)
Brasilianoid F (CHEBI:208938) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(1R,2S,5S,6R,9S,10R,11S,12R,14R,16R,17R)-10,16-dihydroxy-2,6,11,14,17-pentamethyl-20-methylidene-7,18-dioxahexacyclo[12.5.1.16,9.01,16.02,12.05,11]henicosane-8,15,19-trione
Manual XrefsDatabases
71048621ChemSpider