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CHEBI:226602 - Brasilianoid I

ChEBI IDCHEBI:226602
ChEBI NameBrasilianoid I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O8
Net Charge0
Average Mass456.491
Monoisotopic Mass456.17842
SMILESC=C1[C@]2(C)OC(=O)[C@]3(O)[C@@H](C)OC(=O)[C@]13[C@@]1(C)CC[C@@]3(C=CC(=O)OC3(C)C)C(C)=C1C2=O
InChIInChI=1S/C25H28O8/c1-12-16-17(27)22(7)13(2)24(18(28)31-14(3)25(24,30)19(29)33-22)21(16,6)10-11-23(12)9-8-15(26)32-20(23,4)5/h8-9,14,30H,2,10-11H2,1,3-7H3/t14-,21+,22+,23+,24+,25-/m1/s1
InChIKeyMIIOIHXGPFAWCC-VNWHMASUSA-N
Species of MetaboliteComponentSourceComments
Penicillium brasilianum (ncbitaxon:104259) - DOI (10.1016/j.tet.2019.02.037)
ChEBI Ontology
Outgoing Relation(s)
Brasilianoid I (CHEBI:226602) is a furopyran (CHEBI:74927)
IUPAC Name 
(1R,2S,5R,9S,12R,13R)-12-hydroxy-2,6,6',6',9,13-hexamethyl-16-methylidenespiro[10,14-dioxatetracyclo[7.6.1.01,12.02,7]hexadec-6-ene-5,5'-pyran]-2',8,11,15-tetrone
Manual XrefsDatabases
71720028ChemSpider