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CHEBI:208911 - Brasilianoid A

ChEBI IDCHEBI:208911
ChEBI NameBrasilianoid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O8
Net Charge0
Average Mass474.550
Monoisotopic Mass474.22537
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@]1(C(=O)OC)C(=O)[C@@](C)(O)C2=O
InChIInChI=1S/C26H34O8/c1-12-21(2)11-15-22(3,26(12,20(31)33-7)19(30)25(6,32)18(21)29)9-8-14-23(4)10-13(17(28)34-23)16(27)24(14,15)5/h13-16,27,32H,1,8-11H2,2-7H3/t13-,14+,15+,16+,21+,22-,23+,24+,25-,26-/m0/s1
InChIKeyFNFYONWPUAUWGV-WJCJGBOZSA-N
Species of MetaboliteComponentSourceComments
Penicillium brasilianum (ncbitaxon:104259) - PubMed (30101144)
ChEBI Ontology
Outgoing Relation(s)
Brasilianoid A (CHEBI:208911) is a 1-hydroxy steroid (CHEBI:71017)
IUPAC Name 
methyl (1R,2S,5S,6R,9S,10R,11S,12R,14R,16S)-10,16-dihydroxy-2,6,11,14,16-pentamethyl-18-methylidene-8,15,17-trioxo-7-oxapentacyclo[12.3.1.16,9.02,12.05,11]nonadecane-1-carboxylate
Manual XrefsDatabases
71048616ChemSpider