EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:225130 - Arisugacin Q

ChEBI IDCHEBI:225130
ChEBI NameArisugacin Q
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34O4
Net Charge0
Average Mass422.565
Monoisotopic Mass422.24571
SMILESCOc1ccc(-c2cc(O)c(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(=O)o2)cc1
InChIInChI=1S/C27H34O4/c1-19(2)8-6-9-20(3)10-7-11-21(4)12-17-24-25(28)18-26(31-27(24)29)22-13-15-23(30-5)16-14-22/h8,10,12-16,18,28H,6-7,9,11,17H2,1-5H3/b20-10+,21-12+
InChIKeyFBTYSQKRYBWBHM-YARIIHNNSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (31433188)
ChEBI Ontology
Outgoing Relation(s)
Arisugacin Q (CHEBI:225130) is a terpene lactone (CHEBI:37668)
IUPAC Name 
4-hydroxy-6-(4-methoxyphenyl)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]pyran-2-one
Manual XrefsDatabases
128722528ChemSpider