CHEBI:131855 - terretonin

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ChEBI Name terretonin
ChEBI ID CHEBI:131855
Definition A tetracyclic meroterpenoid that is isolated from Aspergillus terreus.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C26H32O9
Net Charge 0
Average Mass 488.528
Monoisotopic Mass 488.20463
InChI InChI=1S/C26H32O9/c1-12-11-26(33)22(4)10-9-13(27)21(2,3)15(22)14(28)17(29)24(26,6)16-18(30)35-25(7,20(32)34-8)19(31)23(12,16)5/h16,28,33H,1,9-11H2,2-8H3/t16-,22+,23+,24-,25-,26+/m0/s1
InChIKey CYHGEJACRPDZDP-RSQIKLETSA-N
SMILES C1CC(C(C=2[C@@]1([C@]3([C@](C(C2O)=O)([C@@]4([C@@](C(C3)=C)(C([C@](OC4=O)(C(OC)=O)C)=O)C)[H])C)O)C)(C)C)=O
Metabolite of Species Details
Aspergillus terreus NIH2624 (NCBI:txid341663) of strain NIH2624 See: PubMed
Roles Classification
Biological Role(s): toxin
Poisonous substance produced by a biological organism such as a microbe, animal or plant.
Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via meroterpenoid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing terretonin (CHEBI:131855) has role Aspergillus metabolite (CHEBI:76956)
terretonin (CHEBI:131855) has role toxin (CHEBI:27026)
terretonin (CHEBI:131855) is a cyclic terpene ketone (CHEBI:36130)
terretonin (CHEBI:131855) is a enol (CHEBI:33823)
terretonin (CHEBI:131855) is a enone (CHEBI:51689)
terretonin (CHEBI:131855) is a meroterpenoid (CHEBI:64419)
terretonin (CHEBI:131855) is a methyl ester (CHEBI:25248)
terretonin (CHEBI:131855) is a organic heterotetracyclic compound (CHEBI:38163)
terretonin (CHEBI:131855) is a sesterterpenoid (CHEBI:26660)
terretonin (CHEBI:131855) is a terpene lactone (CHEBI:37668)
IUPAC Name
methyl (2S,4aS,4bR,10aR,10bR,12aS)-6,10b-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,5,8-tetraoxo-1,4,4a,4b,5,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-2H-phenanthro[1,2-c]pyran-2-carboxylate
Synonym Source
terretonin UniProt
Manual Xref Database
HMDB0035860 HMDB
View more database links
Registry Numbers Types Sources
27911362 Reaxys Registry Number Reaxys
71911-90-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
20310057 PubMed citation Europe PMC
22782788 PubMed citation Europe PMC
23116177 PubMed citation SUBMITTER
25671343 PubMed citation Europe PMC
25854644 PubMed citation Europe PMC
26299734 PubMed citation Europe PMC
Last Modified
03 June 2016