EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:205241 - Tricycloalternarene I

ChEBI IDCHEBI:205241
ChEBI NameTricycloalternarene I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O4
Net Charge0
Average Mass348.483
Monoisotopic Mass348.23006
SMILESCC(C)=CCC[C@](C)(O)[C@@H]1CC[C@@]2(C)OC3=C(C[C@@H]12)C(=O)[C@H](O)CC3
InChIInChI=1S/C21H32O4/c1-13(2)6-5-10-20(3,24)15-9-11-21(4)16(15)12-14-18(25-21)8-7-17(22)19(14)23/h6,15-17,22,24H,5,7-12H2,1-4H3/t15-,16+,17-,20+,21-/m1/s1
InChIKeyYTUOVMXRJSUGDG-BPERIUBUSA-N
Species of MetaboliteComponentSourceComments
Alternariaspecies (ncbitaxon:1715220) - PubMed (25402226)
ChEBI Ontology
Outgoing Relation(s)
Tricycloalternarene I (CHEBI:205241) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,3aR,7R,9aS)-7-hydroxy-1-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3a-methyl-1,2,3,5,6,7,9,9a-octahydrocyclopenta[b]chromen-8-one
Manual XrefsDatabases
35516598ChemSpider