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CHEBI:225557 - Asperaustin C

ChEBI IDCHEBI:225557
ChEBI NameAsperaustin C
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-/m1/s1
InChIKeyHUBJESYCUSZFBU-SIXQDZQHSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (31867967)
ChEBI Ontology
Outgoing Relation(s)
Asperaustin C (CHEBI:225557) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(1R,2S,5S,11S,12S,14R,16R,17R)-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
81367095ChemSpider