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CHEBI:64418 - austinol

ChEBI IDCHEBI:64418
ChEBI Nameaustinol
Stars
DefinitionA meroterpenoid produced by Aspergillus nidulans. It has a pentacyclic structure which incorporates three lactone functionalities and a spiro union.
Last Modified18 August 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC25H30O8
Net Charge0
Average Mass458.507
Monoisotopic Mass458.19407
SMILESC=C1[C@]23C(=O)O[C@@H](C)[C@]2(O)C(=O)O[C@@]1(C)[C@H](O)C1=C(C)[C@@]2(C=CC(=O)OC2(C)C)CC[C@]13C
InChIInChI=1S/C25H30O8/c1-12-16-17(27)22(7)13(2)24(18(28)31-14(3)25(24,30)19(29)33-22)21(16,6)10-11-23(12)9-8-15(26)32-20(23,4)5/h8-9,14,17,27,30H,2,10-11H2,1,3-7H3/t14-,17+,21+,22+,23+,24+,25-/m0/s1
InChIKeyDNKFADXVMUNRRM-NYCRJNSTSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
austinol (CHEBI:64418) is a meroterpenoid (CHEBI:64419)
IUPAC Name 
(3S,3aS,6R,7R,9S,11aR,11bS)-3a,7-dihydroxy-2',2',3,6,8,11a-hexamethyl-12-methylene-3,3a,6,7,11,11a-hexahydro-4H,6'H,10H-spiro[6,11b-methanofuro[3,4-e][3]benzoxocin-9,3'-pyran]-1,4,6'-trione
Manual XrefsDatabases
HMDB0034464HMDB
FDB012873FooDB
Registry NumbersSources
Reaxys:6832416Reaxys
CAS:72040-27-8ChemIDplus
Citations