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CHEBI:208921 - Brasilianoid C

ChEBI IDCHEBI:208921
ChEBI NameBrasilianoid C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O5
Net Charge0
Average Mass414.542
Monoisotopic Mass414.24062
SMILESC=C1[C@@]2(C)C[C@H]3[C@]4(C)C=CC(=O)OC(C)(C)[C@H]4CC[C@]3(C)[C@@]13C(=O)O[C@@H](C)[C@@]3(O)C2
InChIInChI=1S/C25H34O5/c1-14-21(5)12-17-22(6)10-9-18(26)30-20(3,4)16(22)8-11-23(17,7)25(14)19(27)29-15(2)24(25,28)13-21/h9-10,15-17,28H,1,8,11-13H2,2-7H3/t15-,16+,17-,21-,22+,23-,24-,25-/m0/s1
InChIKeySVIALEXDTCKIAX-POGUGEPASA-N
Species of MetaboliteComponentSourceComments
Penicillium brasilianum (ncbitaxon:104259) - PubMed (30101144)
ChEBI Ontology
Outgoing Relation(s)
Brasilianoid C (CHEBI:208921) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(1R,2S,5S,11S,12S,14S,16R,17S)-16-hydroxy-2,6,6,11,14,17-hexamethyl-20-methylidene-7,18-dioxapentacyclo[12.5.1.01,16.02,12.05,11]icos-9-ene-8,19-dione
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71048618ChemSpider