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CHEBI:226608 - Brasilianoid K

ChEBI IDCHEBI:226608
ChEBI NameBrasilianoid K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O7
Net Charge0
Average Mass444.524
Monoisotopic Mass444.21480
SMILESC=C1[C@@]23C(=O)O[C@H](C)[C@@]2(O)C(=O)O[C@]1(C)C[C@H]1[C@]2(C)C=CC(=O)OC(C)(C)[C@H]2CC[C@@]13C
InChIInChI=1S/C25H32O7/c1-13-23(7)12-16-21(5)10-9-17(26)31-20(3,4)15(21)8-11-22(16,6)24(13)18(27)30-14(2)25(24,29)19(28)32-23/h9-10,14-16,29H,1,8,11-12H2,2-7H3/t14-,15-,16+,21-,22+,23-,24+,25-/m1/s1
InChIKeyLZBBJWOZVAEILY-HHCBSSDPSA-N
Species of MetaboliteComponentSourceComments
Penicillium brasilianum (ncbitaxon:104259) - DOI (10.1016/j.tet.2019.02.037)
ChEBI Ontology
Outgoing Relation(s)
Brasilianoid K (CHEBI:226608) is a furopyran (CHEBI:74927)
IUPAC Name 
(1R,2S,5S,11S,12S,14R,17R,18R)-17-hydroxy-2,6,6,11,14,18-hexamethyl-21-methylidene-7,15,19-trioxapentacyclo[12.6.1.01,17.02,12.05,11]henicos-9-ene-8,16,20-trione
Manual XrefsDatabases
71720029ChemSpider