EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:201282 - Bicycloalternarene A

ChEBI IDCHEBI:201282
ChEBI NameBicycloalternarene A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O6
Net Charge0
Average Mass382.497
Monoisotopic Mass382.23554
SMILESCC(C)=CCCC(C)(O)[C@H](O)CCC(C)(O)[C@@H]1CC2=C(CC[C@@H](O)C2=O)O1
InChIInChI=1S/C21H34O6/c1-13(2)6-5-10-20(3,25)17(23)9-11-21(4,26)18-12-14-16(27-18)8-7-15(22)19(14)24/h6,15,17-18,22-23,25-26H,5,7-12H2,1-4H3/t15-,17-,18+,20?,21?/m1/s1
InChIKeyAVLXNKGSFZAMJF-ARWDWGKKSA-N
Species of MetaboliteComponentSourceComments
Alternariaspecies JJY-32 (ncbitaxon:911659) - PubMed (24128115)
ChEBI Ontology
Outgoing Relation(s)
Bicycloalternarene A (CHEBI:201282) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2S,5R)-5-hydroxy-2-[(5R)-2,5,6-trihydroxy-6,10-dimethylundec-9-en-2-yl]-3,5,6,7-tetrahydro-2H-1-benzouran-4-one
Manual XrefsDatabases
78436744ChemSpider