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CHEBI:208834 - Preaustinoid E

ChEBI IDCHEBI:208834
ChEBI NamePreaustinoid E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O6
Net Charge0
Average Mass428.525
Monoisotopic Mass428.21989
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=O
InChIInChI=1S/C25H32O6/c1-13-22(6)12-16-21(5)10-9-17(26)31-20(3,4)15(21)8-11-23(16,7)24(13)19(28)30-14(2)25(24,29)18(22)27/h9-10,14-16,29H,1,8,11-12H2,2-7H3/t14-,15-,16+,21-,22-,23+,24+,25-/m0/s1
InChIKeyHUBJESYCUSZFBU-NUYWURAWSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.20307/nps.2018.24.4.253)
ChEBI Ontology
Outgoing Relation(s)
Preaustinoid E (CHEBI:208834) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(1S,2R,5R,11R,12R,14S,16S,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-8,15,19-trione
Manual XrefsDatabases
72391409ChemSpider