EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:219573 - Tricycloalternarene 10b

ChEBI IDCHEBI:219573
ChEBI NameTricycloalternarene 10b
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O4
Net Charge0
Average Mass360.494
Monoisotopic Mass360.23006
SMILESCOC1CCC2=C(CC3C(C(C)CC/C=C(\C)CO)=CCC3(C)O2)C1=O
InChIInChI=1S/C22H32O4/c1-14(13-23)6-5-7-15(2)16-10-11-22(3)18(16)12-17-19(26-22)8-9-20(25-4)21(17)24/h6,10,15,18,20,23H,5,7-9,11-13H2,1-4H3/b14-6+
InChIKeyRETJUHNLXFFREX-MKMNVTDBSA-N
Species of MetaboliteComponentSourceComments
Alternaria alternata (ncbitaxon:5599) - DOI (10.1016/s0031-9422(99)00275-7)
ChEBI Ontology
Outgoing Relation(s)
Tricycloalternarene 10b (CHEBI:219573) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
1-[(E)-7-hydroxy-6-methylhept-5-en-2-yl]-7-methoxy-3a-methyl-3,5,6,7,9,9a-hexahydrocyclopenta[b]chromen-8-one
Manual XrefsDatabases
78444202ChemSpider