EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:156460 - novofumigatonin

ChEBI IDCHEBI:156460
ChEBI Namenovofumigatonin
Stars
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC25H34O8
Net Charge0
Average Mass462.539
Monoisotopic Mass462.22537
SMILES[H][C@]12C(=O)O[C@@]3(C)O[C@@]4(O[C@H]31)O[C@@]1(C[C@]4(C)[C@H]2C)[C@@H](C)CC[C@@]2([H])C(C)(C)OC(=O)C=C[C@]12CO
InChIInChI=1S/C25H34O8/c1-13-7-8-15-20(3,4)29-16(27)9-10-23(15,12-26)24(13)11-21(5)14(2)17-18-22(6,31-19(17)28)32-25(21,30-18)33-24/h9-10,13-15,17-18,26H,7-8,11-12H2,1-6H3/t13-,14-,15-,17+,18-,21+,22-,23+,24-,25+/m0/s1
InChIKeySWGQNGCZUALAAZ-VCGJBDIASA-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)
novofumigatonin (CHEBI:156460) is a cyclic ketone (CHEBI:3992)
novofumigatonin (CHEBI:156460) is a meroterpenoid (CHEBI:64419)
novofumigatonin (CHEBI:156460) is a organic heteropolycyclic compound (CHEBI:38166)
novofumigatonin (CHEBI:156460) is a ortho ester (CHEBI:71989)
UniProt Name  Source
novofumigatoninUniProt
Citations