EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:208210 - Tricycloalterfurene C

ChEBI IDCHEBI:208210
ChEBI NameTricycloalterfurene C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O6
Net Charge0
Average Mass380.481
Monoisotopic Mass380.21989
SMILESC/C(=C\[C@H]1C[C@@]2(C)OC3=C(C[C@H]2O1)C(=O)CC[C@@H]3O)CCC(O)C(C)(C)O
InChIInChI=1S/C21H32O6/c1-12(5-8-17(24)20(2,3)25)9-13-11-21(4)18(26-13)10-14-15(22)6-7-16(23)19(14)27-21/h9,13,16-18,23-25H,5-8,10-11H2,1-4H3/b12-9+/t13-,16-,17?,18+,21+/m0/s1
InChIKeyFWXCOKASJBNAHR-MKZAAYLKSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - PubMed (28836786)
ChEBI Ontology
Outgoing Relation(s)
Tricycloalterfurene C (CHEBI:208210) is a furopyran (CHEBI:74927)
IUPAC Name 
(2R,3aR,5S,9aR)-2-[(E)-5,6-dihydroxy-2,6-dimethylhept-1-enyl]-5-hydroxy-3a-methyl-3,5,6,7,9,9a-hexahydro-2H-uro[3,2-b]chromen-8-one
Manual XrefsDatabases
62343761ChemSpider