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CHEBI:226594 - Brasilianoid G

ChEBI IDCHEBI:226594
ChEBI NameBrasilianoid G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O7
Net Charge0
Average Mass440.492
Monoisotopic Mass440.18350
SMILESC=C1[C@]2(C=CC(=O)OC2(C)C)CC[C@]2(C)[C@]34C(=O)O[C@H](C)[C@@]3(O[C@]12C=O)C(=O)C(C)=C4C
InChIInChI=1S/C25H28O7/c1-13-14(2)24-19(29)30-16(4)25(24,18(13)28)32-23(12-26)15(3)22(11-10-21(23,24)7)9-8-17(27)31-20(22,5)6/h8-9,12,16H,3,10-11H2,1-2,4-7H3/t16-,21+,22+,23-,24+,25-/m1/s1
InChIKeyOPASHUVCAOVDEQ-QZIZNRCXSA-N
Species of MetaboliteComponentSourceComments
Penicillium brasilianum (ncbitaxon:104259) - DOI (10.1016/j.tet.2019.02.037)
ChEBI Ontology
Outgoing Relation(s)
Brasilianoid G (CHEBI:226594) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(1S,2R,5R,7R,9R,10R)-2,2',2',10,13,14-hexamethyl-6-methylidene-6',12,15-trioxospiro[8,11-dioxatetracyclo[7.3.3.01,9.02,7]pentadec-13-ene-5,3'-pyran]-7-carbaldehyde
Manual XrefsDatabases
71720026ChemSpider